smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCCCC1 ZINC000079433615 185171332 /nfs/dbraw/zinc/17/13/32/185171332.db2.gz VPWMOWBODNOHKZ-UHFFFAOYSA-N 1 2 323.364 2.699 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831874 185344674 /nfs/dbraw/zinc/34/46/74/185344674.db2.gz QQKSYCRLFQHUTG-HNNXBMFYSA-N 1 2 320.414 2.821 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831874 185344675 /nfs/dbraw/zinc/34/46/75/185344675.db2.gz QQKSYCRLFQHUTG-HNNXBMFYSA-N 1 2 320.414 2.821 20 10 DFCDLO CCC[N@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccnc1 ZINC000154156688 283297229 /nfs/dbraw/zinc/29/72/29/283297229.db2.gz HRMABLJRCAXGFA-QGZVFWFLSA-N 1 2 314.385 2.914 20 10 DFCDLO CCC[N@@H+](Cc1ccccc1O)[C@@H](C(=O)OC)c1cccnc1 ZINC000154156688 283297231 /nfs/dbraw/zinc/29/72/31/283297231.db2.gz HRMABLJRCAXGFA-QGZVFWFLSA-N 1 2 314.385 2.914 20 10 DFCDLO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1O ZINC000273406709 296163690 /nfs/dbraw/zinc/16/36/90/296163690.db2.gz ONOZPHIPYMEICZ-YGRLFVJLSA-N 1 2 316.361 2.762 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273305000 130105277 /nfs/dbraw/zinc/10/52/77/130105277.db2.gz CMYPHBGTKRVBPP-QFYYESIMSA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1O ZINC000273406691 130117498 /nfs/dbraw/zinc/11/74/98/130117498.db2.gz ONOZPHIPYMEICZ-HZMBPMFUSA-N 1 2 316.361 2.762 20 10 DFCDLO COc1ncccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273418127 130118608 /nfs/dbraw/zinc/11/86/08/130118608.db2.gz RKMKDFFOYPSBAC-SNVBAGLBSA-N 1 2 303.318 2.555 20 10 DFCDLO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O ZINC000273605161 130143742 /nfs/dbraw/zinc/14/37/42/130143742.db2.gz TWUUTNAIXMTZDP-DGCLKSJQSA-N 1 2 314.341 2.955 20 10 DFCDLO CCc1ccc([C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000285713295 131195521 /nfs/dbraw/zinc/19/55/21/131195521.db2.gz WNHWXUOGOGEOLY-QGZVFWFLSA-N 1 2 316.357 2.686 20 10 DFCDLO CCN(CC)c1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000286972114 131258165 /nfs/dbraw/zinc/25/81/65/131258165.db2.gz ALFVPEIUGGFUOB-UHFFFAOYSA-N 1 2 300.406 2.505 20 10 DFCDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1ccccc1 ZINC000288471917 131326302 /nfs/dbraw/zinc/32/63/02/131326302.db2.gz FUDKEGMOYMSIIN-BDJLRTHQSA-N 1 2 302.330 2.512 20 10 DFCDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000219916596 542879233 /nfs/dbraw/zinc/87/92/33/542879233.db2.gz DLBRARBYTZDLDA-ONGXEEELSA-N 1 2 300.196 2.812 20 10 DFCDLO CC[C@@H]([NH2+][C@H](CO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287102653 286930597 /nfs/dbraw/zinc/93/05/97/286930597.db2.gz QDOMVXBBFSRXDM-BXKDBHETSA-N 1 2 308.205 2.747 20 10 DFCDLO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000281632940 292629374 /nfs/dbraw/zinc/62/93/74/292629374.db2.gz OLEKTUZIMNVGCJ-IUCAKERBSA-N 1 2 308.205 2.747 20 10 DFCDLO Cc1cc(O)c(C[NH+]2CCN(CC3CCOCC3)CC2)cc1C ZINC000172407491 426226061 /nfs/dbraw/zinc/22/60/61/426226061.db2.gz SRLFSRWMFLUSJR-UHFFFAOYSA-N 1 2 318.461 2.553 20 10 DFCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090969762 426335897 /nfs/dbraw/zinc/33/58/97/426335897.db2.gz UKGZFXXTZDIASZ-ZDUSSCGKSA-N 1 2 317.412 2.795 20 10 DFCDLO C[C@H]1OCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000093417627 426356738 /nfs/dbraw/zinc/35/67/38/426356738.db2.gz WWRNOWKQFJODBZ-VHSXEESVSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@H]1OCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000093417627 426356741 /nfs/dbraw/zinc/35/67/41/426356741.db2.gz WWRNOWKQFJODBZ-VHSXEESVSA-N 1 2 300.196 2.764 20 10 DFCDLO CC(C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000101591520 426485090 /nfs/dbraw/zinc/48/50/90/426485090.db2.gz HKXJVYAIFIJWHQ-UHFFFAOYSA-N 1 2 305.205 2.703 20 10 DFCDLO COCc1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cs1 ZINC000290011840 426679478 /nfs/dbraw/zinc/67/94/78/426679478.db2.gz ZWSQSVGCEPKJEV-SECBINFHSA-N 1 2 323.374 2.754 20 10 DFCDLO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000187756700 426691402 /nfs/dbraw/zinc/69/14/02/426691402.db2.gz ASIQKHMWMZEENE-GHMZBOCLSA-N 1 2 301.333 2.517 20 10 DFCDLO Cn1cc[nH+]c1-c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000237916835 426696263 /nfs/dbraw/zinc/69/62/63/426696263.db2.gz UWXFVDAGIQHVPX-UHFFFAOYSA-N 1 2 306.369 2.851 20 10 DFCDLO COc1ccc(O)c(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000290368240 426751170 /nfs/dbraw/zinc/75/11/70/426751170.db2.gz HGJYHJOMTNIXQX-KRWDZBQOSA-N 1 2 318.392 2.932 20 10 DFCDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)no1 ZINC000290836836 426851845 /nfs/dbraw/zinc/85/18/45/426851845.db2.gz HZJNKACYIJIOQB-SNVBAGLBSA-N 1 2 309.341 2.690 20 10 DFCDLO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(OC)n1 ZINC000290898035 426863981 /nfs/dbraw/zinc/86/39/81/426863981.db2.gz LWVQOAHLLFOGEH-UHFFFAOYSA-N 1 2 308.765 2.748 20 10 DFCDLO OC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCOc2ccccc21 ZINC000282277110 426868982 /nfs/dbraw/zinc/86/89/82/426868982.db2.gz KUXZTVSXYPMCQW-QGZVFWFLSA-N 1 2 319.788 2.806 20 10 DFCDLO CCn1cc([C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)cn1 ZINC000276788677 427119971 /nfs/dbraw/zinc/11/99/71/427119971.db2.gz KRXWEVMNQUMCCX-MRXNPFEDSA-N 1 2 321.808 2.836 20 10 DFCDLO CCn1cc([C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)cn1 ZINC000276788677 427119978 /nfs/dbraw/zinc/11/99/78/427119978.db2.gz KRXWEVMNQUMCCX-MRXNPFEDSA-N 1 2 321.808 2.836 20 10 DFCDLO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000276930230 427126702 /nfs/dbraw/zinc/12/67/02/427126702.db2.gz OAFMQUYHDHAOKI-UWVGGRQHSA-N 1 2 314.332 2.552 20 10 DFCDLO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000277709077 427292209 /nfs/dbraw/zinc/29/22/09/427292209.db2.gz INPOAQRMGHURDV-BXKDBHETSA-N 1 2 300.196 2.669 20 10 DFCDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271083174 427398906 /nfs/dbraw/zinc/39/89/06/427398906.db2.gz JSYIRCXVPSRVJT-QMMMGPOBSA-N 1 2 304.173 2.694 20 10 DFCDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271083174 427398913 /nfs/dbraw/zinc/39/89/13/427398913.db2.gz JSYIRCXVPSRVJT-QMMMGPOBSA-N 1 2 304.173 2.694 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)c1 ZINC000271210161 427454445 /nfs/dbraw/zinc/45/44/45/427454445.db2.gz LJDMLLKTDFVCRV-LLVKDONJSA-N 1 2 321.377 2.513 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)c1 ZINC000271210161 427454451 /nfs/dbraw/zinc/45/44/51/427454451.db2.gz LJDMLLKTDFVCRV-LLVKDONJSA-N 1 2 321.377 2.513 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278178676 427425579 /nfs/dbraw/zinc/42/55/79/427425579.db2.gz GRMXDNULPHUAKG-CYBMUJFWSA-N 1 2 324.377 2.556 20 10 DFCDLO COc1c(O)c(C[NH2+][C@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278530469 427444129 /nfs/dbraw/zinc/44/41/29/427444129.db2.gz UYXZPCZQTLFMQW-SECBINFHSA-N 1 2 323.374 2.925 20 10 DFCDLO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1O ZINC000184867158 427555098 /nfs/dbraw/zinc/55/50/98/427555098.db2.gz GLGJCTSFDSKURM-MRVPVSSYSA-N 1 2 317.216 2.876 20 10 DFCDLO COC(=O)[C@H](C)[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCC1 ZINC000192381762 427533909 /nfs/dbraw/zinc/53/39/09/427533909.db2.gz HFASNMRUZLPLOE-JTQLQIEISA-N 1 2 323.364 2.650 20 10 DFCDLO COC(=O)[C@H](C)[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCC1 ZINC000192381762 427533916 /nfs/dbraw/zinc/53/39/16/427533916.db2.gz HFASNMRUZLPLOE-JTQLQIEISA-N 1 2 323.364 2.650 20 10 DFCDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1O ZINC000184877726 427556913 /nfs/dbraw/zinc/55/69/13/427556913.db2.gz VBYGWLWLVGYJKI-LLVKDONJSA-N 1 2 304.369 2.700 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3cnn(C)c3)C2)c1O ZINC000271749548 427586687 /nfs/dbraw/zinc/58/66/87/427586687.db2.gz BRBJVFXYHSWNLD-OAHLLOKOSA-N 1 2 321.808 2.661 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3cnn(C)c3)C2)c1O ZINC000271749548 427586692 /nfs/dbraw/zinc/58/66/92/427586692.db2.gz BRBJVFXYHSWNLD-OAHLLOKOSA-N 1 2 321.808 2.661 20 10 DFCDLO CNC(=O)C1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294389126 427642268 /nfs/dbraw/zinc/64/22/68/427642268.db2.gz VIRVXJOGXLCUSE-UHFFFAOYSA-N 1 2 314.788 2.579 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000294718577 427649941 /nfs/dbraw/zinc/64/99/41/427649941.db2.gz PGZPKYJYCNAHCM-OAHLLOKOSA-N 1 2 315.772 2.566 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000294718577 427649960 /nfs/dbraw/zinc/64/99/60/427649960.db2.gz PGZPKYJYCNAHCM-OAHLLOKOSA-N 1 2 315.772 2.566 20 10 DFCDLO CCOCc1cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)ccc1OC ZINC000294819948 427659857 /nfs/dbraw/zinc/65/98/57/427659857.db2.gz OUHSMFZXXXPHAD-UHFFFAOYSA-N 1 2 318.421 2.763 20 10 DFCDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(Cl)c1O ZINC000371422984 428389219 /nfs/dbraw/zinc/38/92/19/428389219.db2.gz HZIAMNJFVVDMAI-SWHYSGLUSA-N 1 2 308.809 2.664 20 10 DFCDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Cl)c1O ZINC000371422984 428389222 /nfs/dbraw/zinc/38/92/22/428389222.db2.gz HZIAMNJFVVDMAI-SWHYSGLUSA-N 1 2 308.809 2.664 20 10 DFCDLO CCc1nc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)no1 ZINC000371384691 428386461 /nfs/dbraw/zinc/38/64/61/428386461.db2.gz UMCCWYAUIOWISH-GFCCVEGCSA-N 1 2 303.362 2.683 20 10 DFCDLO CCc1nc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2O)no1 ZINC000371384691 428386468 /nfs/dbraw/zinc/38/64/68/428386468.db2.gz UMCCWYAUIOWISH-GFCCVEGCSA-N 1 2 303.362 2.683 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000373493050 428591613 /nfs/dbraw/zinc/59/16/13/428591613.db2.gz GYZFOJKWPWWJFE-CZUORRHYSA-N 1 2 311.809 2.816 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000373493050 428591618 /nfs/dbraw/zinc/59/16/18/428591618.db2.gz GYZFOJKWPWWJFE-CZUORRHYSA-N 1 2 311.809 2.816 20 10 DFCDLO C[C@H](c1nnnn1C1CC1)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373819402 428650077 /nfs/dbraw/zinc/65/00/77/428650077.db2.gz XROXLOMSRKADDH-CYBMUJFWSA-N 1 2 324.432 2.534 20 10 DFCDLO C[C@H](c1nnnn1C1CC1)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373819402 428650082 /nfs/dbraw/zinc/65/00/82/428650082.db2.gz XROXLOMSRKADDH-CYBMUJFWSA-N 1 2 324.432 2.534 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C)c1O ZINC000374189803 428668561 /nfs/dbraw/zinc/66/85/61/428668561.db2.gz LHZWYVNRFNAYFX-DLBZAZTESA-N 1 2 320.408 2.793 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C)c1O ZINC000374189803 428668565 /nfs/dbraw/zinc/66/85/65/428668565.db2.gz LHZWYVNRFNAYFX-DLBZAZTESA-N 1 2 320.408 2.793 20 10 DFCDLO CCc1cc(=O)[nH]c(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000374782431 428750548 /nfs/dbraw/zinc/75/05/48/428750548.db2.gz PGHRAMSTBFYRJG-UHFFFAOYSA-N 1 2 324.428 2.710 20 10 DFCDLO CCc1cc(=O)[nH]c(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000374782431 428750553 /nfs/dbraw/zinc/75/05/53/428750553.db2.gz PGHRAMSTBFYRJG-UHFFFAOYSA-N 1 2 324.428 2.710 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)ccc21 ZINC000366428709 429450560 /nfs/dbraw/zinc/45/05/60/429450560.db2.gz IXPSDWBBFMPELA-GOSISDBHSA-N 1 2 319.412 2.676 20 10 DFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366517652 429468510 /nfs/dbraw/zinc/46/85/10/429468510.db2.gz GZXDHLGFZVVCMQ-PKOBYXMFSA-N 1 2 311.381 2.944 20 10 DFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366517652 429468515 /nfs/dbraw/zinc/46/85/15/429468515.db2.gz GZXDHLGFZVVCMQ-PKOBYXMFSA-N 1 2 311.381 2.944 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(CC2CC2)c2ccccc21 ZINC000492812736 429620986 /nfs/dbraw/zinc/62/09/86/429620986.db2.gz NPTOTAWWIHEJQP-BQYQJAHWSA-N 1 2 308.385 2.686 20 10 DFCDLO CCOC(=O)c1cccc(N(CC)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492890933 429637881 /nfs/dbraw/zinc/63/78/81/429637881.db2.gz CJFUQZFFYKUWJU-HJWRWDBZSA-N 1 2 313.357 2.653 20 10 DFCDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000367474337 429657793 /nfs/dbraw/zinc/65/77/93/429657793.db2.gz FHAKXGQMMLAEHU-LBPRGKRZSA-N 1 2 317.345 2.540 20 10 DFCDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733589 278060053 /nfs/dbraw/zinc/06/00/53/278060053.db2.gz QGCCYSAPTLTSHG-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733589 278060055 /nfs/dbraw/zinc/06/00/55/278060055.db2.gz QGCCYSAPTLTSHG-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187793454 302675811 /nfs/dbraw/zinc/67/58/11/302675811.db2.gz YMSUKBNMISHMGR-PELKAZGASA-N 1 2 308.332 2.756 20 10 DFCDLO CC(C)C[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000293616064 335110133 /nfs/dbraw/zinc/11/01/33/335110133.db2.gz KKBBRWGKJWYXTO-CQSZACIVSA-N 1 2 310.825 2.782 20 10 DFCDLO CC(C)C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000293616064 335110135 /nfs/dbraw/zinc/11/01/35/335110135.db2.gz KKBBRWGKJWYXTO-CQSZACIVSA-N 1 2 310.825 2.782 20 10 DFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000375016275 337001730 /nfs/dbraw/zinc/00/17/30/337001730.db2.gz DUOSFTNRPROJDH-CQSZACIVSA-N 1 2 321.808 2.959 20 10 DFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000375016275 337001731 /nfs/dbraw/zinc/00/17/31/337001731.db2.gz DUOSFTNRPROJDH-CQSZACIVSA-N 1 2 321.808 2.959 20 10 DFCDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(N(C)C)c(F)c1)C2 ZINC000378348578 337070624 /nfs/dbraw/zinc/07/06/24/337070624.db2.gz FZTSNKYXTGJRTB-UHFFFAOYSA-N 1 2 302.397 2.721 20 10 DFCDLO Oc1cccc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000180165097 337175078 /nfs/dbraw/zinc/17/50/78/337175078.db2.gz RMSJJDDOMVJCOY-QGZVFWFLSA-N 1 2 303.333 2.810 20 10 DFCDLO CC(C)N(C)c1ccc(/C=C2/SC(=S)N(C)C2=O)c[nH+]1 ZINC000190394177 519632312 /nfs/dbraw/zinc/63/23/12/519632312.db2.gz IIHFTHDGLVESQR-YRNVUSSQSA-N 1 2 307.444 2.757 20 10 DFCDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179932404 519875472 /nfs/dbraw/zinc/87/54/72/519875472.db2.gz FWRITDWSKTUUEK-CYBMUJFWSA-N 1 2 310.825 2.926 20 10 DFCDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179932404 519875473 /nfs/dbraw/zinc/87/54/73/519875473.db2.gz FWRITDWSKTUUEK-CYBMUJFWSA-N 1 2 310.825 2.926 20 10 DFCDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151595 523762084 /nfs/dbraw/zinc/76/20/84/523762084.db2.gz HQBLEJZSGYURIC-YPMHNXCESA-N 1 2 323.780 2.699 20 10 DFCDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151595 523762088 /nfs/dbraw/zinc/76/20/88/523762088.db2.gz HQBLEJZSGYURIC-YPMHNXCESA-N 1 2 323.780 2.699 20 10 DFCDLO C[C@H]([NH2+]CCn1cncn1)c1ccc(Cl)c(Cl)c1O ZINC000273296502 299301764 /nfs/dbraw/zinc/30/17/64/299301764.db2.gz AEHKOUJMRWRNMT-QMMMGPOBSA-N 1 2 301.177 2.641 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273304997 299304019 /nfs/dbraw/zinc/30/40/19/299304019.db2.gz CMYPHBGTKRVBPP-MGPLVRAMSA-N 1 2 320.320 2.824 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](COC)C2)cc1F ZINC000093528560 193264159 /nfs/dbraw/zinc/26/41/59/193264159.db2.gz KVCABHLCCMHXTG-HNNXBMFYSA-N 1 2 310.413 2.519 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](COC)C2)cc1F ZINC000093528560 193264161 /nfs/dbraw/zinc/26/41/61/193264161.db2.gz KVCABHLCCMHXTG-HNNXBMFYSA-N 1 2 310.413 2.519 20 10 DFCDLO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186804749 284281140 /nfs/dbraw/zinc/28/11/40/284281140.db2.gz OBPGJTVBLBIVIY-MRVPVSSYSA-N 1 2 305.205 2.828 20 10 DFCDLO C[N@H+](Cc1cccc(F)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000272256657 130013462 /nfs/dbraw/zinc/01/34/62/130013462.db2.gz JJXRGKRREOWHAU-INIZCTEOSA-N 1 2 314.360 2.769 20 10 DFCDLO C[N@@H+](Cc1cccc(F)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000272256657 130013465 /nfs/dbraw/zinc/01/34/65/130013465.db2.gz JJXRGKRREOWHAU-INIZCTEOSA-N 1 2 314.360 2.769 20 10 DFCDLO Cc1ncc(CN2CC[NH+](Cc3cccc(F)c3O)CC2)s1 ZINC000272315152 130020487 /nfs/dbraw/zinc/02/04/87/130020487.db2.gz SHZIKWJCDUXCNO-UHFFFAOYSA-N 1 2 321.421 2.614 20 10 DFCDLO Cc1ncc(C[NH+]2CCN(Cc3cccc(F)c3O)CC2)s1 ZINC000272315152 130020491 /nfs/dbraw/zinc/02/04/91/130020491.db2.gz SHZIKWJCDUXCNO-UHFFFAOYSA-N 1 2 321.421 2.614 20 10 DFCDLO COc1ncccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273418124 130118486 /nfs/dbraw/zinc/11/84/86/130118486.db2.gz RKMKDFFOYPSBAC-JTQLQIEISA-N 1 2 303.318 2.555 20 10 DFCDLO C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467923 130124945 /nfs/dbraw/zinc/12/49/45/130124945.db2.gz FDHJYWPTLNCYNK-GFCCVEGCSA-N 1 2 316.361 2.848 20 10 DFCDLO C[C@@H](c1nccs1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000274332077 130227073 /nfs/dbraw/zinc/22/70/73/130227073.db2.gz GBQTWICAVAYVDN-LBPRGKRZSA-N 1 2 321.421 2.867 20 10 DFCDLO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(Cl)c1O ZINC000287787309 286902089 /nfs/dbraw/zinc/90/20/89/286902089.db2.gz SMZDUHSVRDZVIZ-SNVBAGLBSA-N 1 2 324.730 2.765 20 10 DFCDLO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1cccc(Cl)c1O ZINC000290504883 286908315 /nfs/dbraw/zinc/90/83/15/286908315.db2.gz YIPLDXPWPLVSRJ-CYBMUJFWSA-N 1 2 319.854 2.910 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc(Cl)c1O ZINC000287892196 286911181 /nfs/dbraw/zinc/91/11/81/286911181.db2.gz ZBEAKAZVLMJTSN-HIFRSBDPSA-N 1 2 301.814 2.874 20 10 DFCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1nccc(N)n1 ZINC000134961988 426201889 /nfs/dbraw/zinc/20/18/89/426201889.db2.gz IUGSMLVGFWDMFE-UHFFFAOYSA-N 1 2 311.433 2.681 20 10 DFCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1nccc(N)n1 ZINC000134961988 426201891 /nfs/dbraw/zinc/20/18/91/426201891.db2.gz IUGSMLVGFWDMFE-UHFFFAOYSA-N 1 2 311.433 2.681 20 10 DFCDLO Cn1ncc2c1nc[nH+]c2NCc1c(O)ccc2c1CCCC2 ZINC000172776162 426230917 /nfs/dbraw/zinc/23/09/17/426230917.db2.gz QMGLEBHZPDHDSS-UHFFFAOYSA-N 1 2 309.373 2.560 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1ncc[nH]1)OCO2 ZINC000092729803 426351271 /nfs/dbraw/zinc/35/12/71/426351271.db2.gz JNXJHOQUOKFUOL-LBPRGKRZSA-N 1 2 301.346 2.571 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1ncc[nH]1)OCO2 ZINC000092729803 426351275 /nfs/dbraw/zinc/35/12/75/426351275.db2.gz JNXJHOQUOKFUOL-LBPRGKRZSA-N 1 2 301.346 2.571 20 10 DFCDLO C[C@@H]1OCC[N@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000093417625 426356957 /nfs/dbraw/zinc/35/69/57/426356957.db2.gz WWRNOWKQFJODBZ-UWVGGRQHSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@@H]1OCC[N@@H+](Cc2cc(Br)ccc2O)[C@H]1C ZINC000093417625 426356960 /nfs/dbraw/zinc/35/69/60/426356960.db2.gz WWRNOWKQFJODBZ-UWVGGRQHSA-N 1 2 300.196 2.764 20 10 DFCDLO CCOCc1cc(C[NH2+]C(C)(C)c2noc(C)n2)ccc1OC ZINC000264256188 426524410 /nfs/dbraw/zinc/52/44/10/426524410.db2.gz CLCBIVGGWJNNSY-UHFFFAOYSA-N 1 2 319.405 2.948 20 10 DFCDLO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1O ZINC000186178633 426491429 /nfs/dbraw/zinc/49/14/29/426491429.db2.gz BSOOCWOZYJXGOP-AMIZOPFISA-N 1 2 306.189 2.501 20 10 DFCDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](C)O2 ZINC000280529110 426592470 /nfs/dbraw/zinc/59/24/70/426592470.db2.gz RMAMAJFBAKYFOA-BFQNTYOBSA-N 1 2 311.809 2.814 20 10 DFCDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](C)O2 ZINC000280529119 426593089 /nfs/dbraw/zinc/59/30/89/426593089.db2.gz RMAMAJFBAKYFOA-HSMVNMDESA-N 1 2 311.809 2.814 20 10 DFCDLO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000289645715 426670863 /nfs/dbraw/zinc/67/08/63/426670863.db2.gz GACCQEJVHRJMEZ-NSHDSACASA-N 1 2 316.361 2.612 20 10 DFCDLO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000289919173 426678057 /nfs/dbraw/zinc/67/80/57/426678057.db2.gz VPCFXLHHEXLCAG-IUODEOHRSA-N 1 2 310.825 2.829 20 10 DFCDLO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179702544 426815206 /nfs/dbraw/zinc/81/52/06/426815206.db2.gz ZNYHXCHPVJJJAI-CQSZACIVSA-N 1 2 322.836 2.784 20 10 DFCDLO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179702544 426815210 /nfs/dbraw/zinc/81/52/10/426815210.db2.gz ZNYHXCHPVJJJAI-CQSZACIVSA-N 1 2 322.836 2.784 20 10 DFCDLO CC(C)[N@H+](Cc1nc(N(C)C)no1)Cc1ccc(N(C)C)cc1 ZINC000282117061 426832747 /nfs/dbraw/zinc/83/27/47/426832747.db2.gz XMDJPHNFWAPHRV-UHFFFAOYSA-N 1 2 317.437 2.612 20 10 DFCDLO CC(C)[N@@H+](Cc1nc(N(C)C)no1)Cc1ccc(N(C)C)cc1 ZINC000282117061 426832750 /nfs/dbraw/zinc/83/27/50/426832750.db2.gz XMDJPHNFWAPHRV-UHFFFAOYSA-N 1 2 317.437 2.612 20 10 DFCDLO CCCCN(Cc1ccccc1O)C(=O)NCCn1cc[nH+]c1 ZINC000282554450 426918958 /nfs/dbraw/zinc/91/89/58/426918958.db2.gz JFMYLLGCAUXWHZ-UHFFFAOYSA-N 1 2 316.405 2.601 20 10 DFCDLO CCn1cc[nH+]c1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000295755167 427015420 /nfs/dbraw/zinc/01/54/20/427015420.db2.gz NRBYAOKXWOTDOD-UHFFFAOYSA-N 1 2 323.400 2.636 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c1O ZINC000277432248 427201064 /nfs/dbraw/zinc/20/10/64/427201064.db2.gz JORJXGJRPHSUMG-DGIBIBHMSA-N 1 2 301.839 2.554 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)c1O ZINC000277432248 427201068 /nfs/dbraw/zinc/20/10/68/427201068.db2.gz JORJXGJRPHSUMG-DGIBIBHMSA-N 1 2 301.839 2.554 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000271218415 427457038 /nfs/dbraw/zinc/45/70/38/427457038.db2.gz YCRMMFXTRFYQHZ-WIEQDCTASA-N 1 2 308.491 2.874 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000271218415 427457044 /nfs/dbraw/zinc/45/70/44/427457044.db2.gz YCRMMFXTRFYQHZ-WIEQDCTASA-N 1 2 308.491 2.874 20 10 DFCDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)[nH]1 ZINC000271762313 427583215 /nfs/dbraw/zinc/58/32/15/427583215.db2.gz FCBMKUYYHZIMIK-LBPRGKRZSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)[nH]1 ZINC000271762313 427583220 /nfs/dbraw/zinc/58/32/20/427583220.db2.gz FCBMKUYYHZIMIK-LBPRGKRZSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000271762313 427583226 /nfs/dbraw/zinc/58/32/26/427583226.db2.gz FCBMKUYYHZIMIK-LBPRGKRZSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000271762313 427583234 /nfs/dbraw/zinc/58/32/34/427583234.db2.gz FCBMKUYYHZIMIK-LBPRGKRZSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n[nH]1 ZINC000271762313 427583240 /nfs/dbraw/zinc/58/32/40/427583240.db2.gz FCBMKUYYHZIMIK-LBPRGKRZSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n[nH]1 ZINC000271762313 427583248 /nfs/dbraw/zinc/58/32/48/427583248.db2.gz FCBMKUYYHZIMIK-LBPRGKRZSA-N 1 2 306.797 2.852 20 10 DFCDLO FC(F)(F)c1cnc(C[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000294722753 427647473 /nfs/dbraw/zinc/64/74/73/427647473.db2.gz CQGCQSLRIXCZFA-UHFFFAOYSA-N 1 2 309.291 2.720 20 10 DFCDLO CCOCc1cc(C[NH2+]Cc2nnc(C3CC3)[nH]2)ccc1OC ZINC000294858285 427661840 /nfs/dbraw/zinc/66/18/40/427661840.db2.gz SUSNMBDHYRWTAT-UHFFFAOYSA-N 1 2 316.405 2.517 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1c1ccccc1)OCO2 ZINC000371791845 428404480 /nfs/dbraw/zinc/40/44/80/428404480.db2.gz DEGZBKUNKHUIOM-HNNXBMFYSA-N 1 2 313.353 2.694 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@H]1c1ccccc1)OCO2 ZINC000371791845 428404486 /nfs/dbraw/zinc/40/44/86/428404486.db2.gz DEGZBKUNKHUIOM-HNNXBMFYSA-N 1 2 313.353 2.694 20 10 DFCDLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000373493048 428590129 /nfs/dbraw/zinc/59/01/29/428590129.db2.gz GYZFOJKWPWWJFE-BBRMVZONSA-N 1 2 311.809 2.816 20 10 DFCDLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000373493048 428590134 /nfs/dbraw/zinc/59/01/34/428590134.db2.gz GYZFOJKWPWWJFE-BBRMVZONSA-N 1 2 311.809 2.816 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(C)(C)OC)CC2)cc1 ZINC000369110139 429913472 /nfs/dbraw/zinc/91/34/72/429913472.db2.gz HIHSNAUTIHHZAP-UHFFFAOYSA-N 1 2 320.433 2.547 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000287125993 288043936 /nfs/dbraw/zinc/04/39/36/288043936.db2.gz RJWQLHIVAJCORZ-XUJVJEKNSA-N 1 2 313.825 2.731 20 10 DFCDLO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186804728 279019841 /nfs/dbraw/zinc/01/98/41/279019841.db2.gz OBPGJTVBLBIVIY-QMMMGPOBSA-N 1 2 305.205 2.828 20 10 DFCDLO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293926066 335115814 /nfs/dbraw/zinc/11/58/14/335115814.db2.gz MZKDOKQMNHJKIB-ZDUSSCGKSA-N 1 2 319.735 2.518 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364508928 333324688 /nfs/dbraw/zinc/32/46/88/333324688.db2.gz LNUGXEBDEHJACY-NSHDSACASA-N 1 2 313.188 2.738 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364508928 333324689 /nfs/dbraw/zinc/32/46/89/333324689.db2.gz LNUGXEBDEHJACY-NSHDSACASA-N 1 2 313.188 2.738 20 10 DFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000273459311 334047054 /nfs/dbraw/zinc/04/70/54/334047054.db2.gz HUTPZSIGKQQJCY-QMTHXVAHSA-N 1 2 315.373 2.630 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000277667310 334089768 /nfs/dbraw/zinc/08/97/68/334089768.db2.gz PLMJENDVJXATOE-WLRWDXFRSA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000277667310 334089769 /nfs/dbraw/zinc/08/97/69/334089769.db2.gz PLMJENDVJXATOE-WLRWDXFRSA-N 1 2 301.839 2.697 20 10 DFCDLO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000293704976 334201054 /nfs/dbraw/zinc/20/10/54/334201054.db2.gz MKVJQIIGSWFVCI-QWRGUYRKSA-N 1 2 314.376 2.873 20 10 DFCDLO CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c1O ZINC000374863869 336998535 /nfs/dbraw/zinc/99/85/35/336998535.db2.gz KWDFRMIDTYOZJZ-AWEZNQCLSA-N 1 2 303.337 2.794 20 10 DFCDLO Cc1cnn(C2C[NH+](Cc3cc(Br)ccc3O)C2)c1 ZINC000375861492 337021689 /nfs/dbraw/zinc/02/16/89/337021689.db2.gz QIQCDYLQNLYQLX-UHFFFAOYSA-N 1 2 322.206 2.717 20 10 DFCDLO CN1CCc2cc(CNC(=O)Nc3ccn4cc[nH+]c4c3)ccc21 ZINC000377817959 337061954 /nfs/dbraw/zinc/06/19/54/337061954.db2.gz XLIRDXKACQSISZ-UHFFFAOYSA-N 1 2 321.384 2.648 20 10 DFCDLO Cc1cn2c([nH+]1)CN(Cc1cc(Br)ccc1O)CC2 ZINC000378631102 337077109 /nfs/dbraw/zinc/07/71/09/337077109.db2.gz GXYXIZBPZDLUBI-UHFFFAOYSA-N 1 2 322.206 2.675 20 10 DFCDLO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000190146150 337285252 /nfs/dbraw/zinc/28/52/52/337285252.db2.gz ONWNNEPQVKQBPW-OLZOCXBDSA-N 1 2 323.780 2.699 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000191440630 337296925 /nfs/dbraw/zinc/29/69/25/337296925.db2.gz OGPNBQYAFKNPFL-KBPBESRZSA-N 1 2 315.772 2.565 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000191440630 337296926 /nfs/dbraw/zinc/29/69/26/337296926.db2.gz OGPNBQYAFKNPFL-KBPBESRZSA-N 1 2 315.772 2.565 20 10 DFCDLO CC1(N2CCOCC2)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000529665334 340767138 /nfs/dbraw/zinc/76/71/38/340767138.db2.gz XOAZXXTXCDKKIX-UHFFFAOYSA-N 1 2 324.852 2.732 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245857258 341316333 /nfs/dbraw/zinc/31/63/33/341316333.db2.gz DTTRNRITZFHGJQ-LBPRGKRZSA-N 1 2 301.217 2.979 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245857258 341316334 /nfs/dbraw/zinc/31/63/34/341316334.db2.gz DTTRNRITZFHGJQ-LBPRGKRZSA-N 1 2 301.217 2.979 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[NH2+]C(C)(C)c2noc(C)n2)c1O ZINC000267406461 518277287 /nfs/dbraw/zinc/27/72/87/518277287.db2.gz SARGTKRZBDPIGC-UHFFFAOYSA-N 1 2 323.780 2.965 20 10 DFCDLO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191204866 520464530 /nfs/dbraw/zinc/46/45/30/520464530.db2.gz UQRYTVSMFRVTEK-LLVKDONJSA-N 1 2 314.376 2.970 20 10 DFCDLO CCOC(=O)[C@H](C)[N@H+](Cc1cccc(OCC)c1O)C1CC1 ZINC000191710570 521199494 /nfs/dbraw/zinc/19/94/94/521199494.db2.gz SPBMMVVRRGWFRH-LBPRGKRZSA-N 1 2 307.390 2.707 20 10 DFCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cccc(OCC)c1O)C1CC1 ZINC000191710570 521199505 /nfs/dbraw/zinc/19/95/05/521199505.db2.gz SPBMMVVRRGWFRH-LBPRGKRZSA-N 1 2 307.390 2.707 20 10 DFCDLO CCOc1cccc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000131506854 521333084 /nfs/dbraw/zinc/33/30/84/521333084.db2.gz GXUGPCUAXQXJTJ-GFCCVEGCSA-N 1 2 309.406 2.953 20 10 DFCDLO CCOc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000131506854 521333094 /nfs/dbraw/zinc/33/30/94/521333094.db2.gz GXUGPCUAXQXJTJ-GFCCVEGCSA-N 1 2 309.406 2.953 20 10 DFCDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1cccc(F)c1 ZINC000267152837 525516384 /nfs/dbraw/zinc/51/63/84/525516384.db2.gz CTBPVGWWBRFQCE-HWPZZCPQSA-N 1 2 320.320 2.651 20 10 DFCDLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000190982647 526240833 /nfs/dbraw/zinc/24/08/33/526240833.db2.gz IBEKOKQCRKOHRQ-LLVKDONJSA-N 1 2 301.346 2.554 20 10 DFCDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)Cc1ccc(N)cc1 ZINC000237759929 527167665 /nfs/dbraw/zinc/16/76/65/527167665.db2.gz LGYHMJWNLGUURE-UHFFFAOYSA-N 1 2 322.412 2.676 20 10 DFCDLO Cc1nnc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)[nH]1 ZINC000092736758 398598060 /nfs/dbraw/zinc/59/80/60/398598060.db2.gz QACQGHTVUIXFAC-UHFFFAOYSA-N 1 2 306.797 2.852 20 10 DFCDLO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276905902 290357286 /nfs/dbraw/zinc/35/72/86/290357286.db2.gz JWSAKWCTOVBNAQ-WHXUTIOJSA-N 1 2 312.360 2.626 20 10 DFCDLO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273605179 295982036 /nfs/dbraw/zinc/98/20/36/295982036.db2.gz TXDHOUXVFOIJBY-IUCAKERBSA-N 1 2 322.283 2.918 20 10 DFCDLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000091986196 193137245 /nfs/dbraw/zinc/13/72/45/193137245.db2.gz QLIMCLSTNAEJSF-QMMMGPOBSA-N 1 2 306.189 2.940 20 10 DFCDLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000091986196 193137246 /nfs/dbraw/zinc/13/72/46/193137246.db2.gz QLIMCLSTNAEJSF-QMMMGPOBSA-N 1 2 306.189 2.940 20 10 DFCDLO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093360897 193238720 /nfs/dbraw/zinc/23/87/20/193238720.db2.gz BAUAZDGGKCDNDI-VIFPVBQESA-N 1 2 317.216 2.657 20 10 DFCDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093360897 193238722 /nfs/dbraw/zinc/23/87/22/193238722.db2.gz BAUAZDGGKCDNDI-VIFPVBQESA-N 1 2 317.216 2.657 20 10 DFCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000183244240 284196915 /nfs/dbraw/zinc/19/69/15/284196915.db2.gz LVHWBJWGJGIXRG-INIZCTEOSA-N 1 2 315.344 2.631 20 10 DFCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000183244240 284196917 /nfs/dbraw/zinc/19/69/17/284196917.db2.gz LVHWBJWGJGIXRG-INIZCTEOSA-N 1 2 315.344 2.631 20 10 DFCDLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000273589329 299429953 /nfs/dbraw/zinc/42/99/53/299429953.db2.gz OTADFUXCNDAENL-HKJPBSJPSA-N 1 2 314.341 2.609 20 10 DFCDLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(F)c1O ZINC000272280859 130015071 /nfs/dbraw/zinc/01/50/71/130015071.db2.gz MQDSXJDETUCBQT-MRXNPFEDSA-N 1 2 315.344 2.804 20 10 DFCDLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(F)c1O ZINC000272280859 130015073 /nfs/dbraw/zinc/01/50/73/130015073.db2.gz MQDSXJDETUCBQT-MRXNPFEDSA-N 1 2 315.344 2.804 20 10 DFCDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cccc(F)c1O ZINC000272313973 130019403 /nfs/dbraw/zinc/01/94/03/130019403.db2.gz SCXJPSWSGGBNTJ-UHFFFAOYSA-N 1 2 317.286 2.922 20 10 DFCDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cccc(F)c1O ZINC000272313973 130019406 /nfs/dbraw/zinc/01/94/06/130019406.db2.gz SCXJPSWSGGBNTJ-UHFFFAOYSA-N 1 2 317.286 2.922 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273305002 130105019 /nfs/dbraw/zinc/10/50/19/130105019.db2.gz CMYPHBGTKRVBPP-QLJPJBMISA-N 1 2 320.320 2.824 20 10 DFCDLO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000273565977 130138857 /nfs/dbraw/zinc/13/88/57/130138857.db2.gz JMLODEMJUQWJEE-HZMBPMFUSA-N 1 2 306.318 2.586 20 10 DFCDLO CCOCc1cc(C[NH2+]C(C)(C)c2nc(C)no2)ccc1OC ZINC000284053855 131044194 /nfs/dbraw/zinc/04/41/94/131044194.db2.gz PNVWMXZBUOQCJN-UHFFFAOYSA-N 1 2 319.405 2.948 20 10 DFCDLO COc1cccc(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1O ZINC000290872782 131524690 /nfs/dbraw/zinc/52/46/90/131524690.db2.gz KIGVODUEUWEOBQ-NSHDSACASA-N 1 2 321.377 2.560 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3nccn3C(C)C)CC2)cc1 ZINC000299555184 132111502 /nfs/dbraw/zinc/11/15/02/132111502.db2.gz DCYZSPPDTPDACP-UHFFFAOYSA-N 1 2 314.433 2.795 20 10 DFCDLO COc1ccc(N2CCN(Cc3[nH+]ccn3C(C)C)CC2)cc1 ZINC000299555184 132111503 /nfs/dbraw/zinc/11/15/03/132111503.db2.gz DCYZSPPDTPDACP-UHFFFAOYSA-N 1 2 314.433 2.795 20 10 DFCDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000219916632 542878636 /nfs/dbraw/zinc/87/86/36/542878636.db2.gz DLBRARBYTZDLDA-MWLCHTKSSA-N 1 2 300.196 2.812 20 10 DFCDLO Cc1c[nH+]ccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108816355 426022967 /nfs/dbraw/zinc/02/29/67/426022967.db2.gz LKPAIBZYSXEYBB-QPJJXVBHSA-N 1 2 323.396 2.879 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000132769226 426171446 /nfs/dbraw/zinc/17/14/46/426171446.db2.gz LKTRRJPJIPJKPK-JSGCOSHPSA-N 1 2 312.207 2.908 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000132769226 426171448 /nfs/dbraw/zinc/17/14/48/426171448.db2.gz LKTRRJPJIPJKPK-JSGCOSHPSA-N 1 2 312.207 2.908 20 10 DFCDLO FC(F)Oc1ccc(N2CCC[C@@H]([NH2+]Cc3ccn[nH]3)C2)cc1 ZINC000174621583 426261292 /nfs/dbraw/zinc/26/12/92/426261292.db2.gz DVUYJYACKXMODC-CYBMUJFWSA-N 1 2 322.359 2.770 20 10 DFCDLO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093808879 426357977 /nfs/dbraw/zinc/35/79/77/426357977.db2.gz HYJFZUVDFGAFRP-VIFPVBQESA-N 1 2 317.216 2.786 20 10 DFCDLO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093808879 426357979 /nfs/dbraw/zinc/35/79/79/426357979.db2.gz HYJFZUVDFGAFRP-VIFPVBQESA-N 1 2 317.216 2.786 20 10 DFCDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](C)O2 ZINC000280529138 426592395 /nfs/dbraw/zinc/59/23/95/426592395.db2.gz RMAMAJFBAKYFOA-XHBSWPGZSA-N 1 2 311.809 2.814 20 10 DFCDLO CCc1nnc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)o1 ZINC000280572097 426603895 /nfs/dbraw/zinc/60/38/95/426603895.db2.gz VXBAPQMKBXWSIS-LBPRGKRZSA-N 1 2 323.780 2.565 20 10 DFCDLO CCc1nnc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)o1 ZINC000280572097 426603897 /nfs/dbraw/zinc/60/38/97/426603897.db2.gz VXBAPQMKBXWSIS-LBPRGKRZSA-N 1 2 323.780 2.565 20 10 DFCDLO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000187756719 426691119 /nfs/dbraw/zinc/69/11/19/426691119.db2.gz ASIQKHMWMZEENE-QWRGUYRKSA-N 1 2 301.333 2.517 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000179628315 426806921 /nfs/dbraw/zinc/80/69/21/426806921.db2.gz IBYYLAISQYFXSZ-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nncn2C(C)C)c1 ZINC000292830410 427201957 /nfs/dbraw/zinc/20/19/57/427201957.db2.gz RBNKADTUSGPLGR-UHFFFAOYSA-N 1 2 304.394 2.595 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nncn2C(C)C)c1 ZINC000292830410 427201963 /nfs/dbraw/zinc/20/19/63/427201963.db2.gz RBNKADTUSGPLGR-UHFFFAOYSA-N 1 2 304.394 2.595 20 10 DFCDLO C[N@@H+]1CCc2ncnc(N3CCc4cc(Cl)ccc43)c2C1 ZINC000286190210 427449633 /nfs/dbraw/zinc/44/96/33/427449633.db2.gz BAKVXHWCEGDDMA-UHFFFAOYSA-N 1 2 300.793 2.812 20 10 DFCDLO C[N@H+]1CCc2ncnc(N3CCc4cc(Cl)ccc43)c2C1 ZINC000286190210 427449637 /nfs/dbraw/zinc/44/96/37/427449637.db2.gz BAKVXHWCEGDDMA-UHFFFAOYSA-N 1 2 300.793 2.812 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271743524 427586381 /nfs/dbraw/zinc/58/63/81/427586381.db2.gz RVAOXNHXNOCTCY-CMPLNLGQSA-N 1 2 309.715 2.933 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271743524 427586389 /nfs/dbraw/zinc/58/63/89/427586389.db2.gz RVAOXNHXNOCTCY-CMPLNLGQSA-N 1 2 309.715 2.933 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000287861508 427705293 /nfs/dbraw/zinc/70/52/93/427705293.db2.gz XISXPLZYGRDAFS-GXFFZTMASA-N 1 2 317.838 2.521 20 10 DFCDLO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287870360 427707310 /nfs/dbraw/zinc/70/73/10/427707310.db2.gz XWQBPYIPPKUCRX-BXKDBHETSA-N 1 2 317.216 2.970 20 10 DFCDLO CC[C@@H]([NH2+]CC1(CO)CCOCC1)c1cccc(Cl)c1O ZINC000287905903 427712857 /nfs/dbraw/zinc/71/28/57/427712857.db2.gz ZVNKFRNGYZENCR-CQSZACIVSA-N 1 2 313.825 2.875 20 10 DFCDLO C[N@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000194539705 427747121 /nfs/dbraw/zinc/74/71/21/427747121.db2.gz VIJUCPJAORUOMW-PHIMTYICSA-N 1 2 301.217 2.692 20 10 DFCDLO C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000194539705 427747122 /nfs/dbraw/zinc/74/71/22/427747122.db2.gz VIJUCPJAORUOMW-PHIMTYICSA-N 1 2 301.217 2.692 20 10 DFCDLO C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000194539705 427747124 /nfs/dbraw/zinc/74/71/24/427747124.db2.gz VIJUCPJAORUOMW-PHIMTYICSA-N 1 2 301.217 2.692 20 10 DFCDLO C[NH+]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2C1 ZINC000194539705 427747126 /nfs/dbraw/zinc/74/71/26/427747126.db2.gz VIJUCPJAORUOMW-PHIMTYICSA-N 1 2 301.217 2.692 20 10 DFCDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466383 428583767 /nfs/dbraw/zinc/58/37/67/428583767.db2.gz OIQJJNUUIZPHCU-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466383 428583772 /nfs/dbraw/zinc/58/37/72/428583772.db2.gz OIQJJNUUIZPHCU-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000373493051 428590273 /nfs/dbraw/zinc/59/02/73/428590273.db2.gz GYZFOJKWPWWJFE-XJKSGUPXSA-N 1 2 311.809 2.816 20 10 DFCDLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000373493051 428590279 /nfs/dbraw/zinc/59/02/79/428590279.db2.gz GYZFOJKWPWWJFE-XJKSGUPXSA-N 1 2 311.809 2.816 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366767706 429510713 /nfs/dbraw/zinc/51/07/13/429510713.db2.gz YAUCCEXDNNARRU-HNNXBMFYSA-N 1 2 312.417 2.554 20 10 DFCDLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000367392956 429641143 /nfs/dbraw/zinc/64/11/43/429641143.db2.gz WWNXUIOXYSEXPC-MGPLVRAMSA-N 1 2 300.314 2.912 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000568766889 430391291 /nfs/dbraw/zinc/39/12/91/430391291.db2.gz IFKQESVPYZDCJB-CYBMUJFWSA-N 1 2 310.401 2.951 20 10 DFCDLO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1O ZINC000287765780 288059400 /nfs/dbraw/zinc/05/94/00/288059400.db2.gz REOGIBCGBLQWNK-GWCFXTLKSA-N 1 2 319.854 2.910 20 10 DFCDLO CC[C@H]([NH2+]CCN1CCC(O)CC1)c1cccc(Cl)c1O ZINC000295870289 335140156 /nfs/dbraw/zinc/14/01/56/335140156.db2.gz GDEWUAACWHDAQW-HNNXBMFYSA-N 1 2 312.841 2.543 20 10 DFCDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000276539019 334081316 /nfs/dbraw/zinc/08/13/16/334081316.db2.gz XKHWXIKRVRTXKN-KRWDZBQOSA-N 1 2 313.397 2.883 20 10 DFCDLO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000293704977 334201060 /nfs/dbraw/zinc/20/10/60/334201060.db2.gz MKVJQIIGSWFVCI-WDEREUQCSA-N 1 2 314.376 2.873 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)Nc1cc[nH+]cc1C ZINC000346889594 335448803 /nfs/dbraw/zinc/44/88/03/335448803.db2.gz FCVQHHGOZXXKSS-UHFFFAOYSA-N 1 2 308.385 2.934 20 10 DFCDLO Cc1cc(NCc2ccc(N3CCSCC3)cc2)nc[nH+]1 ZINC000301236043 336296022 /nfs/dbraw/zinc/29/60/22/336296022.db2.gz KHAUDYDTHFFDEX-UHFFFAOYSA-N 1 2 300.431 2.950 20 10 DFCDLO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)C2 ZINC000369035503 336857587 /nfs/dbraw/zinc/85/75/87/336857587.db2.gz MERCQGRRSRGOBP-SKDRFNHKSA-N 1 2 319.355 2.977 20 10 DFCDLO Cc1nc([C@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)no1 ZINC000375017081 337001637 /nfs/dbraw/zinc/00/16/37/337001637.db2.gz GNWWXJCRWSBSAY-CYBMUJFWSA-N 1 2 323.780 2.619 20 10 DFCDLO Cc1nc([C@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)no1 ZINC000375017081 337001638 /nfs/dbraw/zinc/00/16/38/337001638.db2.gz GNWWXJCRWSBSAY-CYBMUJFWSA-N 1 2 323.780 2.619 20 10 DFCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000375470988 337011728 /nfs/dbraw/zinc/01/17/28/337011728.db2.gz RNTRCJSFTLHFSN-KBPBESRZSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000375470988 337011729 /nfs/dbraw/zinc/01/17/29/337011729.db2.gz RNTRCJSFTLHFSN-KBPBESRZSA-N 1 2 309.793 2.616 20 10 DFCDLO Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C2 ZINC000375580618 337013839 /nfs/dbraw/zinc/01/38/39/337013839.db2.gz ZLJQSZVBPOGHHU-WDEREUQCSA-N 1 2 307.344 2.841 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)c1O ZINC000376660630 337039288 /nfs/dbraw/zinc/03/92/88/337039288.db2.gz ZEDAQQFPUPJHAK-WLRWDXFRSA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)c1O ZINC000376660630 337039289 /nfs/dbraw/zinc/03/92/89/337039289.db2.gz ZEDAQQFPUPJHAK-WLRWDXFRSA-N 1 2 301.839 2.697 20 10 DFCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000377613675 337056162 /nfs/dbraw/zinc/05/61/62/337056162.db2.gz FETQAYSAYZUKAN-PXAZEXFGSA-N 1 2 324.384 2.959 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCCN(c2ccncn2)C1 ZINC000378461024 337073554 /nfs/dbraw/zinc/07/35/54/337073554.db2.gz XLFYFZSMNLRIEO-ZDUSSCGKSA-N 1 2 318.808 2.594 20 10 DFCDLO OCC1([NH2+]Cc2cccc(Cl)c2O)Cc2ccccc2C1 ZINC000360058823 337084519 /nfs/dbraw/zinc/08/45/19/337084519.db2.gz OGBSNSOVBXJFLF-UHFFFAOYSA-N 1 2 303.789 2.665 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000180781553 337177812 /nfs/dbraw/zinc/17/78/12/337177812.db2.gz AGZYPZDUQQQYTH-UHFFFAOYSA-N 1 2 306.797 2.549 20 10 DFCDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000185624420 337249682 /nfs/dbraw/zinc/24/96/82/337249682.db2.gz QWOVXPVEMZTRIY-KRWDZBQOSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1cc(F)ccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000185624420 337249683 /nfs/dbraw/zinc/24/96/83/337249683.db2.gz QWOVXPVEMZTRIY-KRWDZBQOSA-N 1 2 314.360 2.513 20 10 DFCDLO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)c(F)c1O ZINC000187723346 337269559 /nfs/dbraw/zinc/26/95/59/337269559.db2.gz UOKGTFOUUJDYFC-IJQVFZPHSA-N 1 2 305.324 2.979 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000188479268 337273698 /nfs/dbraw/zinc/27/36/98/337273698.db2.gz PXXCGRLXZGLURL-CYBMUJFWSA-N 1 2 300.406 2.992 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000188479268 337273699 /nfs/dbraw/zinc/27/36/99/337273699.db2.gz PXXCGRLXZGLURL-CYBMUJFWSA-N 1 2 300.406 2.992 20 10 DFCDLO C[C@H]([NH2+]CC1COC1)c1cc(Br)c(F)cc1O ZINC000528027607 337784684 /nfs/dbraw/zinc/78/46/84/337784684.db2.gz UVWMUSKSMPKLOB-ZETCQYMHSA-N 1 2 304.159 2.591 20 10 DFCDLO CC(C)OCC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000180375650 519766413 /nfs/dbraw/zinc/76/64/13/519766413.db2.gz LEGYQRWPLBEJGS-UHFFFAOYSA-N 1 2 312.841 2.588 20 10 DFCDLO CC(C)OCCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180375650 519766415 /nfs/dbraw/zinc/76/64/15/519766415.db2.gz LEGYQRWPLBEJGS-UHFFFAOYSA-N 1 2 312.841 2.588 20 10 DFCDLO COC(=O)C1([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)CCCC1 ZINC000159290143 522838255 /nfs/dbraw/zinc/83/82/55/522838255.db2.gz APCNSVILBCJMHW-UHFFFAOYSA-N 1 2 323.364 2.652 20 10 DFCDLO COC(=O)C1([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2O)CCCC1 ZINC000159290143 522838268 /nfs/dbraw/zinc/83/82/68/522838268.db2.gz APCNSVILBCJMHW-UHFFFAOYSA-N 1 2 323.364 2.652 20 10 DFCDLO CO[C@H](C)c1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000267619946 523915348 /nfs/dbraw/zinc/91/53/48/523915348.db2.gz KOMCQBJMSAJCSE-SECBINFHSA-N 1 2 323.374 2.754 20 10 DFCDLO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000267908850 524094222 /nfs/dbraw/zinc/09/42/22/524094222.db2.gz CKPSVXSAKVVRTI-HNNXBMFYSA-N 1 2 317.410 2.622 20 10 DFCDLO C[C@H](N1CC[NH+](Cc2cc(F)ccc2O)CC1)C(F)(F)F ZINC000180251879 524870537 /nfs/dbraw/zinc/87/05/37/524870537.db2.gz IUIBMJMRUSUCIN-JTQLQIEISA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@@H](N1CC[NH+](Cc2cc(F)ccc2O)CC1)C(F)(F)F ZINC000180251899 525035323 /nfs/dbraw/zinc/03/53/23/525035323.db2.gz IUIBMJMRUSUCIN-SNVBAGLBSA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000282491427 299383515 /nfs/dbraw/zinc/38/35/15/299383515.db2.gz RAWXMNOCVHDMJK-IINYFYTJSA-N 1 2 316.361 2.762 20 10 DFCDLO C[C@@H]([NH2+]CCCOCCO)c1ccc(Cl)c(Cl)c1O ZINC000186514568 296124370 /nfs/dbraw/zinc/12/43/70/296124370.db2.gz DSGSYGCGLGLXDD-SECBINFHSA-N 1 2 308.205 2.749 20 10 DFCDLO COC(=O)C[N@H+](Cc1ccn(C)c1)Cc1cc(Cl)ccc1O ZINC000093277092 193223576 /nfs/dbraw/zinc/22/35/76/193223576.db2.gz FKMAXHGVEKDCFX-UHFFFAOYSA-N 1 2 322.792 2.559 20 10 DFCDLO COC(=O)C[N@@H+](Cc1ccn(C)c1)Cc1cc(Cl)ccc1O ZINC000093277092 193223578 /nfs/dbraw/zinc/22/35/78/193223578.db2.gz FKMAXHGVEKDCFX-UHFFFAOYSA-N 1 2 322.792 2.559 20 10 DFCDLO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)c(F)c1O ZINC000187805186 296164362 /nfs/dbraw/zinc/16/43/62/296164362.db2.gz YXVXKXFHJOETJR-NEPJUHHUSA-N 1 2 319.355 2.995 20 10 DFCDLO CN(C)c1ccc(C[N@H+](C)Cc2ncc(Cl)n2C)cc1F ZINC000272694269 130054808 /nfs/dbraw/zinc/05/48/08/130054808.db2.gz XLMVXXJOOMCFDW-UHFFFAOYSA-N 1 2 310.804 2.911 20 10 DFCDLO CN(C)c1ccc(C[N@@H+](C)Cc2ncc(Cl)n2C)cc1F ZINC000272694269 130054809 /nfs/dbraw/zinc/05/48/09/130054809.db2.gz XLMVXXJOOMCFDW-UHFFFAOYSA-N 1 2 310.804 2.911 20 10 DFCDLO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273619268 130145593 /nfs/dbraw/zinc/14/55/93/130145593.db2.gz YMVUFQXZLLUXKM-SJCJKPOMSA-N 1 2 316.357 2.993 20 10 DFCDLO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273619270 130145863 /nfs/dbraw/zinc/14/58/63/130145863.db2.gz YMVUFQXZLLUXKM-SJKOYZFVSA-N 1 2 316.357 2.993 20 10 DFCDLO O=C(C1CC[NH+](Cc2cccc(F)c2O)CC1)C(F)(F)F ZINC000274952757 130277061 /nfs/dbraw/zinc/27/70/61/130277061.db2.gz SNAHAEOWOFRMMV-UHFFFAOYSA-N 1 2 305.271 2.875 20 10 DFCDLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273437623 285575516 /nfs/dbraw/zinc/57/55/16/285575516.db2.gz XOGSHISVBKUUKB-YUMQZZPRSA-N 1 2 305.205 2.874 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000273407563 287062295 /nfs/dbraw/zinc/06/22/95/287062295.db2.gz OTADFUXCNDAENL-GPNNCHTKSA-N 1 2 314.341 2.609 20 10 DFCDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131037316 196134676 /nfs/dbraw/zinc/13/46/76/196134676.db2.gz WSYOWRGUROYKIP-CVJBHZAOSA-N 1 2 310.246 2.898 20 10 DFCDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131037316 196134678 /nfs/dbraw/zinc/13/46/78/196134678.db2.gz WSYOWRGUROYKIP-CVJBHZAOSA-N 1 2 310.246 2.898 20 10 DFCDLO Cc1cc(CN2CC[NH+](Cc3cccc(Cl)c3O)CC2)on1 ZINC000179633174 426807202 /nfs/dbraw/zinc/80/72/02/426807202.db2.gz YRHRHKYMEYKYPF-UHFFFAOYSA-N 1 2 321.808 2.660 20 10 DFCDLO CC[N@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1O ZINC000282848339 426928419 /nfs/dbraw/zinc/92/84/19/426928419.db2.gz WCFKTDIMFXBWTI-UHFFFAOYSA-N 1 2 308.205 2.530 20 10 DFCDLO CC[N@@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1O ZINC000282848339 426928426 /nfs/dbraw/zinc/92/84/26/426928426.db2.gz WCFKTDIMFXBWTI-UHFFFAOYSA-N 1 2 308.205 2.530 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(Cl)c(Cl)c1O ZINC000282878929 426933246 /nfs/dbraw/zinc/93/32/46/426933246.db2.gz VOVPCIYSKSVPMH-SFYZADRCSA-N 1 2 323.195 2.824 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNc1[nH+]cnc2c1cnn2C ZINC000337937516 427049422 /nfs/dbraw/zinc/04/94/22/427049422.db2.gz FKFDIKQMYDOCKK-UHFFFAOYSA-N 1 2 306.373 2.776 20 10 DFCDLO Cn1cc([C@]2(C)C[N@@H+](Cc3c(O)cccc3Cl)CCO2)cn1 ZINC000271265111 427472844 /nfs/dbraw/zinc/47/28/44/427472844.db2.gz IBOZMNGHECILOY-INIZCTEOSA-N 1 2 321.808 2.527 20 10 DFCDLO COCC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)CCOCC1 ZINC000293877233 427474103 /nfs/dbraw/zinc/47/41/03/427474103.db2.gz YOFFWZSXPYRQLQ-LLVKDONJSA-N 1 2 315.360 2.764 20 10 DFCDLO COC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000271745496 427586972 /nfs/dbraw/zinc/58/69/72/427586972.db2.gz ATRMPGXVXRXVQX-KRWDZBQOSA-N 1 2 315.369 2.747 20 10 DFCDLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000271745496 427586975 /nfs/dbraw/zinc/58/69/75/427586975.db2.gz ATRMPGXVXRXVQX-KRWDZBQOSA-N 1 2 315.369 2.747 20 10 DFCDLO Oc1c(F)cccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000294890115 427665557 /nfs/dbraw/zinc/66/55/57/427665557.db2.gz YKGCWNORNCXWQJ-UHFFFAOYSA-N 1 2 316.376 2.976 20 10 DFCDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000294858318 427660443 /nfs/dbraw/zinc/66/04/43/427660443.db2.gz SVHFIBGKLPHZDL-LBPRGKRZSA-N 1 2 312.797 2.708 20 10 DFCDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000294858318 427660451 /nfs/dbraw/zinc/66/04/51/427660451.db2.gz SVHFIBGKLPHZDL-LBPRGKRZSA-N 1 2 312.797 2.708 20 10 DFCDLO O=c1[nH]ccc2c1C[N@H+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000369593456 428009618 /nfs/dbraw/zinc/00/96/18/428009618.db2.gz GBTFBQNKTKNUGU-UHFFFAOYSA-N 1 2 308.740 2.844 20 10 DFCDLO O=c1[nH]ccc2c1C[N@@H+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000369593456 428009622 /nfs/dbraw/zinc/00/96/22/428009622.db2.gz GBTFBQNKTKNUGU-UHFFFAOYSA-N 1 2 308.740 2.844 20 10 DFCDLO CCc1nc([C@@H]2C[N@H+]([C@@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486190 428453969 /nfs/dbraw/zinc/45/39/69/428453969.db2.gz VIHDNOCJIZIFDA-ZFWWWQNUSA-N 1 2 316.405 2.597 20 10 DFCDLO CCc1nc([C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486190 428453974 /nfs/dbraw/zinc/45/39/74/428453974.db2.gz VIHDNOCJIZIFDA-ZFWWWQNUSA-N 1 2 316.405 2.597 20 10 DFCDLO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217870 428522620 /nfs/dbraw/zinc/52/26/20/428522620.db2.gz SJSIXSOXMCJBGE-GXTWGEPZSA-N 1 2 308.809 2.536 20 10 DFCDLO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217870 428522625 /nfs/dbraw/zinc/52/26/25/428522625.db2.gz SJSIXSOXMCJBGE-GXTWGEPZSA-N 1 2 308.809 2.536 20 10 DFCDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466384 428584046 /nfs/dbraw/zinc/58/40/46/428584046.db2.gz OIQJJNUUIZPHCU-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466384 428584050 /nfs/dbraw/zinc/58/40/50/428584050.db2.gz OIQJJNUUIZPHCU-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO CCCc1nc(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)no1 ZINC000361102934 428535416 /nfs/dbraw/zinc/53/54/16/428535416.db2.gz GDEJTOLOJODQRX-UHFFFAOYSA-N 1 2 312.417 2.987 20 10 DFCDLO CCCc1nc(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)no1 ZINC000361102934 428535424 /nfs/dbraw/zinc/53/54/24/428535424.db2.gz GDEJTOLOJODQRX-UHFFFAOYSA-N 1 2 312.417 2.987 20 10 DFCDLO CN(C)c1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1 ZINC000373961247 428658044 /nfs/dbraw/zinc/65/80/44/428658044.db2.gz DCZWMMBTXSVJDM-UHFFFAOYSA-N 1 2 305.385 3.217 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C3(C)CC3)CC2)cc1 ZINC000363877870 429132427 /nfs/dbraw/zinc/13/24/27/429132427.db2.gz FXLYZCFXJJNZQD-UHFFFAOYSA-N 1 2 302.418 2.923 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364496250 429214537 /nfs/dbraw/zinc/21/45/37/429214537.db2.gz RVOUGTVHVJNJSK-CQSZACIVSA-N 1 2 312.207 2.766 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364496250 429214541 /nfs/dbraw/zinc/21/45/41/429214541.db2.gz RVOUGTVHVJNJSK-CQSZACIVSA-N 1 2 312.207 2.766 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc(Br)cc21 ZINC000492869143 429633463 /nfs/dbraw/zinc/63/34/63/429633463.db2.gz UJRNFAPDPQKOFC-ONEGZZNKSA-N 1 2 318.174 2.775 20 10 DFCDLO C[N@@H+]1CCc2ncnc(N3CCc4c3cccc4Cl)c2C1 ZINC000268282158 290257503 /nfs/dbraw/zinc/25/75/03/290257503.db2.gz WNQZJOUAFYJXPY-UHFFFAOYSA-N 1 2 300.793 2.812 20 10 DFCDLO C[N@H+]1CCc2ncnc(N3CCc4c3cccc4Cl)c2C1 ZINC000268282158 290257504 /nfs/dbraw/zinc/25/75/04/290257504.db2.gz WNQZJOUAFYJXPY-UHFFFAOYSA-N 1 2 300.793 2.812 20 10 DFCDLO COC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)[C@H]1CCCO1 ZINC000278849635 293157871 /nfs/dbraw/zinc/15/78/71/293157871.db2.gz QHIHAWKUKDCGLG-TVYUQYBPSA-N 1 2 301.333 2.515 20 10 DFCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)CC[S@@]1=O ZINC000294772930 335127254 /nfs/dbraw/zinc/12/72/54/335127254.db2.gz TVABGDXYDXFDRZ-UGZDLDLSSA-N 1 2 305.802 2.528 20 10 DFCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[S@@]1=O ZINC000294772930 335127255 /nfs/dbraw/zinc/12/72/55/335127255.db2.gz TVABGDXYDXFDRZ-UGZDLDLSSA-N 1 2 305.802 2.528 20 10 DFCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccco2)cc1OC ZINC000367740292 333349609 /nfs/dbraw/zinc/34/96/09/333349609.db2.gz KOWYPJSMISJKAS-CYBMUJFWSA-N 1 2 319.357 2.576 20 10 DFCDLO COc1cc(O)c(C[N@H+]2CCOC[C@@H]2c2ccco2)cc1OC ZINC000367740292 333349611 /nfs/dbraw/zinc/34/96/11/333349611.db2.gz KOWYPJSMISJKAS-CYBMUJFWSA-N 1 2 319.357 2.576 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000295513324 335135468 /nfs/dbraw/zinc/13/54/68/335135468.db2.gz ZKAKPDINGJCPMZ-LLVKDONJSA-N 1 2 313.678 2.684 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000295513324 335135469 /nfs/dbraw/zinc/13/54/69/335135469.db2.gz ZKAKPDINGJCPMZ-LLVKDONJSA-N 1 2 313.678 2.684 20 10 DFCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000273466477 334047511 /nfs/dbraw/zinc/04/75/11/334047511.db2.gz IYVMKYMXEBBSTL-VHSXEESVSA-N 1 2 319.365 2.954 20 10 DFCDLO OC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCc2ccccc21 ZINC000305782110 337037178 /nfs/dbraw/zinc/03/71/78/337037178.db2.gz PHKMGKISILKGNR-QGZVFWFLSA-N 1 2 303.789 2.969 20 10 DFCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@H]2c2noc(C)n2)c1 ZINC000377657268 337057636 /nfs/dbraw/zinc/05/76/36/337057636.db2.gz ZSDAYKDBQVVJSL-YGRLFVJLSA-N 1 2 303.362 2.990 20 10 DFCDLO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H]2c2noc(C)n2)c1 ZINC000377657268 337057637 /nfs/dbraw/zinc/05/76/37/337057637.db2.gz ZSDAYKDBQVVJSL-YGRLFVJLSA-N 1 2 303.362 2.990 20 10 DFCDLO Oc1ccc(F)cc1C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000378536965 337075460 /nfs/dbraw/zinc/07/54/60/337075460.db2.gz VIFLQOFQZMBKBZ-UHFFFAOYSA-N 1 2 324.359 2.847 20 10 DFCDLO CCn1cc([C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000191703029 523482794 /nfs/dbraw/zinc/48/27/94/523482794.db2.gz UVPLLDOMJAWHOH-OAHLLOKOSA-N 1 2 321.808 2.836 20 10 DFCDLO CCn1cc([C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000191703029 523482802 /nfs/dbraw/zinc/48/28/02/523482802.db2.gz UVPLLDOMJAWHOH-OAHLLOKOSA-N 1 2 321.808 2.836 20 10 DFCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC000124523736 526158262 /nfs/dbraw/zinc/15/82/62/526158262.db2.gz QTPWJHRGYKDRMK-SNVBAGLBSA-N 1 2 300.196 2.684 20 10 DFCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](C)C2)c1O ZINC000124523736 526158276 /nfs/dbraw/zinc/15/82/76/526158276.db2.gz QTPWJHRGYKDRMK-SNVBAGLBSA-N 1 2 300.196 2.684 20 10 DFCDLO c1cncc(C2=CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000365049373 526545862 /nfs/dbraw/zinc/54/58/62/526545862.db2.gz WSGYUXYUWGVVQC-UHFFFAOYSA-N 1 2 307.401 2.766 20 10 DFCDLO c1cncc(C2=CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000365049373 526545866 /nfs/dbraw/zinc/54/58/66/526545866.db2.gz WSGYUXYUWGVVQC-UHFFFAOYSA-N 1 2 307.401 2.766 20 10 DFCDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(Cl)c1O ZINC000364901707 526989434 /nfs/dbraw/zinc/98/94/34/526989434.db2.gz YQBCMFQLGWCIFX-HNNXBMFYSA-N 1 2 316.788 2.630 20 10 DFCDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000364901707 526989440 /nfs/dbraw/zinc/98/94/40/526989440.db2.gz YQBCMFQLGWCIFX-HNNXBMFYSA-N 1 2 316.788 2.630 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC(C)C)CC2)cc1 ZINC000066149261 398359011 /nfs/dbraw/zinc/35/90/11/398359011.db2.gz WWFNBENQMKCWPW-UHFFFAOYSA-N 1 2 305.422 2.714 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1F ZINC000289199446 282289817 /nfs/dbraw/zinc/28/98/17/282289817.db2.gz BFQIJFHGSVZATQ-GFCCVEGCSA-N 1 2 302.340 2.748 20 10 DFCDLO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1F ZINC000289199446 282289819 /nfs/dbraw/zinc/28/98/19/282289819.db2.gz BFQIJFHGSVZATQ-GFCCVEGCSA-N 1 2 302.340 2.748 20 10 DFCDLO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000276914333 299288411 /nfs/dbraw/zinc/28/84/11/299288411.db2.gz LJCIOLUQJBGDKE-JTQLQIEISA-N 1 2 321.389 2.536 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3cncc(F)c3)CC2)cc1F ZINC000275101165 130291465 /nfs/dbraw/zinc/29/14/65/130291465.db2.gz CJOYKMKYZGTXBB-UHFFFAOYSA-N 1 2 319.355 2.691 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000285503758 131174756 /nfs/dbraw/zinc/17/47/56/131174756.db2.gz MZBRQUQTMOMVPC-UHFFFAOYSA-N 1 2 320.216 2.720 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@](F)(CO)C2)c1O ZINC000286930636 131256833 /nfs/dbraw/zinc/25/68/33/131256833.db2.gz NHXWIXLTIRJUGZ-OAHLLOKOSA-N 1 2 315.772 2.545 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](F)(CO)C2)c1O ZINC000286930636 131256834 /nfs/dbraw/zinc/25/68/34/131256834.db2.gz NHXWIXLTIRJUGZ-OAHLLOKOSA-N 1 2 315.772 2.545 20 10 DFCDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000219916557 542879212 /nfs/dbraw/zinc/87/92/12/542879212.db2.gz DLBRARBYTZDLDA-KOLCDFICSA-N 1 2 300.196 2.812 20 10 DFCDLO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)c(F)c1O ZINC000187806598 287041177 /nfs/dbraw/zinc/04/11/77/287041177.db2.gz LZOLYSOVVMOGII-SNVBAGLBSA-N 1 2 307.344 2.982 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)c(F)c1O ZINC000187805146 287059573 /nfs/dbraw/zinc/05/95/73/287059573.db2.gz YXVXKXFHJOETJR-VXGBXAGGSA-N 1 2 319.355 2.995 20 10 DFCDLO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2[nH+]ccn2c1 ZINC000068414114 425917958 /nfs/dbraw/zinc/91/79/58/425917958.db2.gz OYJZILAURSLYLJ-UHFFFAOYSA-N 1 2 320.396 2.865 20 10 DFCDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2ccccc2O)c1C ZINC000109769488 426032366 /nfs/dbraw/zinc/03/23/66/426032366.db2.gz AQLZMEJFTRQYIJ-UHFFFAOYSA-N 1 2 314.385 2.854 20 10 DFCDLO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccccc2O)c1C ZINC000109769488 426032369 /nfs/dbraw/zinc/03/23/69/426032369.db2.gz AQLZMEJFTRQYIJ-UHFFFAOYSA-N 1 2 314.385 2.854 20 10 DFCDLO CN1CCCc2cc(CNC(=O)c3ccc4[nH+]ccn4c3)ccc21 ZINC000171166629 426174671 /nfs/dbraw/zinc/17/46/71/426174671.db2.gz TVFMYROBSZVQRB-UHFFFAOYSA-N 1 2 320.396 2.647 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1O ZINC000121217618 426326465 /nfs/dbraw/zinc/32/64/65/426326465.db2.gz XBTYQEUDHCFMFN-MRXNPFEDSA-N 1 2 319.332 2.900 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1O ZINC000121217443 426326534 /nfs/dbraw/zinc/32/65/34/426326534.db2.gz XBTYQEUDHCFMFN-INIZCTEOSA-N 1 2 319.332 2.900 20 10 DFCDLO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000152475469 426344003 /nfs/dbraw/zinc/34/40/03/426344003.db2.gz FKBCLIYUNDVMAZ-HQJQHLMTSA-N 1 2 310.246 2.901 20 10 DFCDLO CCOC(=O)C1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000177227018 426457007 /nfs/dbraw/zinc/45/70/07/426457007.db2.gz IDNLOVLAHUKJEU-UHFFFAOYSA-N 1 2 323.364 2.509 20 10 DFCDLO Cn1cc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)cn1 ZINC000101593977 426485063 /nfs/dbraw/zinc/48/50/63/426485063.db2.gz NLHAWCQTCABUGP-UHFFFAOYSA-N 1 2 300.189 2.765 20 10 DFCDLO CCCC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)OC ZINC000187390086 426656088 /nfs/dbraw/zinc/65/60/88/426656088.db2.gz HQVGJJSALWELFC-GFCCVEGCSA-N 1 2 315.797 2.876 20 10 DFCDLO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187703590 426687652 /nfs/dbraw/zinc/68/76/52/426687652.db2.gz BXTWMSGKRRKLTD-SNVBAGLBSA-N 1 2 312.360 2.580 20 10 DFCDLO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(F)c(F)c1O ZINC000187792592 426696062 /nfs/dbraw/zinc/69/60/62/426696062.db2.gz YGJYUAGAZHCMBZ-SNVBAGLBSA-N 1 2 312.360 2.627 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000248839651 427049742 /nfs/dbraw/zinc/04/97/42/427049742.db2.gz KXVUNMLXQPFEPT-YPMHNXCESA-N 1 2 317.813 2.891 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000248839651 427049745 /nfs/dbraw/zinc/04/97/45/427049745.db2.gz KXVUNMLXQPFEPT-YPMHNXCESA-N 1 2 317.813 2.891 20 10 DFCDLO CN(C)c1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1F ZINC000277574663 427249411 /nfs/dbraw/zinc/24/94/11/427249411.db2.gz RVQBIOACBAOYDB-UHFFFAOYSA-N 1 2 315.396 2.894 20 10 DFCDLO CN(C)c1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1F ZINC000277574663 427249420 /nfs/dbraw/zinc/24/94/20/427249420.db2.gz RVQBIOACBAOYDB-UHFFFAOYSA-N 1 2 315.396 2.894 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000183471481 427275293 /nfs/dbraw/zinc/27/52/93/427275293.db2.gz ROUBAZLEYFTNSB-UHFFFAOYSA-N 1 2 303.793 2.763 20 10 DFCDLO OC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCC1(F)F ZINC000293822190 427451376 /nfs/dbraw/zinc/45/13/76/427451376.db2.gz FZDCVVVMCWHVPF-SECBINFHSA-N 1 2 309.715 2.634 20 10 DFCDLO OC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCC1(F)F ZINC000293822190 427451384 /nfs/dbraw/zinc/45/13/84/427451384.db2.gz FZDCVVVMCWHVPF-SECBINFHSA-N 1 2 309.715 2.634 20 10 DFCDLO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)[nH]1 ZINC000294133172 427560258 /nfs/dbraw/zinc/56/02/58/427560258.db2.gz HAQUGNRQPUZBQE-JTQLQIEISA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)[nH]1 ZINC000294133172 427560263 /nfs/dbraw/zinc/56/02/63/427560263.db2.gz HAQUGNRQPUZBQE-JTQLQIEISA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000294133172 427560271 /nfs/dbraw/zinc/56/02/71/427560271.db2.gz HAQUGNRQPUZBQE-JTQLQIEISA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000294133172 427560275 /nfs/dbraw/zinc/56/02/75/427560275.db2.gz HAQUGNRQPUZBQE-JTQLQIEISA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n[nH]1 ZINC000294133172 427560282 /nfs/dbraw/zinc/56/02/82/427560282.db2.gz HAQUGNRQPUZBQE-JTQLQIEISA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n[nH]1 ZINC000294133172 427560287 /nfs/dbraw/zinc/56/02/87/427560287.db2.gz HAQUGNRQPUZBQE-JTQLQIEISA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000271903977 427592232 /nfs/dbraw/zinc/59/22/32/427592232.db2.gz ZXRLOBMQAXPAED-BFKGZMGPSA-N 1 2 301.839 2.695 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000185502971 427663917 /nfs/dbraw/zinc/66/39/17/427663917.db2.gz SYEDITFVZJQZHG-RKDXNWHRSA-N 1 2 317.216 2.970 20 10 DFCDLO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c(=O)n1C ZINC000279440384 427671188 /nfs/dbraw/zinc/67/11/88/427671188.db2.gz HJMQYYPHLIMUBK-SNVBAGLBSA-N 1 2 308.328 2.528 20 10 DFCDLO Cc1nnc([C@@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)o1 ZINC000369680328 428034292 /nfs/dbraw/zinc/03/42/92/428034292.db2.gz FCPWOTPYHKXFJM-ZDUSSCGKSA-N 1 2 323.780 2.619 20 10 DFCDLO Cc1nnc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)o1 ZINC000369680328 428034296 /nfs/dbraw/zinc/03/42/96/428034296.db2.gz FCPWOTPYHKXFJM-ZDUSSCGKSA-N 1 2 323.780 2.619 20 10 DFCDLO CN(C)c1ccc(C2=CC[N@H+](Cc3nnc(C4CC4)n3C)C2)cc1 ZINC000374784707 428749942 /nfs/dbraw/zinc/74/99/42/428749942.db2.gz UIOCVNVASPUFCS-UHFFFAOYSA-N 1 2 323.444 2.658 20 10 DFCDLO CN(C)c1ccc(C2=CC[N@@H+](Cc3nnc(C4CC4)n3C)C2)cc1 ZINC000374784707 428749947 /nfs/dbraw/zinc/74/99/47/428749947.db2.gz UIOCVNVASPUFCS-UHFFFAOYSA-N 1 2 323.444 2.658 20 10 DFCDLO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)[C@@H](O)C(F)(F)F ZINC000273452897 288080678 /nfs/dbraw/zinc/08/06/78/288080678.db2.gz GNHLVISKZDPCOM-INNHCVQGSA-N 1 2 322.283 2.653 20 10 DFCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCCOC2)O1 ZINC000366463083 300270649 /nfs/dbraw/zinc/27/06/49/300270649.db2.gz NVATURXSMPEAHV-LRDDRELGSA-N 1 2 311.809 2.816 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCCOC2)O1 ZINC000366463083 300270652 /nfs/dbraw/zinc/27/06/52/300270652.db2.gz NVATURXSMPEAHV-LRDDRELGSA-N 1 2 311.809 2.816 20 10 DFCDLO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000275687187 303011442 /nfs/dbraw/zinc/01/14/42/303011442.db2.gz WUNQGSADVANJSU-ZFWWWQNUSA-N 1 2 321.808 2.789 20 10 DFCDLO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037781978 331585753 /nfs/dbraw/zinc/58/57/53/331585753.db2.gz MUISBHAOGOXFDU-VIFPVBQESA-N 1 2 317.216 2.800 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295153703 335132874 /nfs/dbraw/zinc/13/28/74/335132874.db2.gz RKTMUVPNUCQWDR-AWEZNQCLSA-N 1 2 309.768 2.878 20 10 DFCDLO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(F)c(F)c1O ZINC000375557738 337013481 /nfs/dbraw/zinc/01/34/81/337013481.db2.gz NPRICHBRXXDKEQ-LLVKDONJSA-N 1 2 319.351 2.851 20 10 DFCDLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(F)c1O ZINC000249081000 337569544 /nfs/dbraw/zinc/56/95/44/337569544.db2.gz LPWMDAPDUCVRMK-JNHRWOMLSA-N 1 2 305.324 2.979 20 10 DFCDLO CCc1nc([C@@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)no1 ZINC000364905498 522442705 /nfs/dbraw/zinc/44/27/05/522442705.db2.gz OMPBBZZQDVCREH-ZDUSSCGKSA-N 1 2 303.362 2.683 20 10 DFCDLO CCc1nc([C@@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)no1 ZINC000364905498 522442715 /nfs/dbraw/zinc/44/27/15/522442715.db2.gz OMPBBZZQDVCREH-ZDUSSCGKSA-N 1 2 303.362 2.683 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3C[C@@H]3C)CC2)cc1 ZINC000363650475 524403281 /nfs/dbraw/zinc/40/32/81/524403281.db2.gz FSFAJAFCMGDWEZ-GUYCJALGSA-N 1 2 302.418 2.778 20 10 DFCDLO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(F)c(F)c1O ZINC000191188999 525440083 /nfs/dbraw/zinc/44/00/83/525440083.db2.gz CQYOCVIITIBKCK-NEPJUHHUSA-N 1 2 315.360 2.907 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000369101496 526326337 /nfs/dbraw/zinc/32/63/37/526326337.db2.gz XVWTXOLETYLDLJ-OAHLLOKOSA-N 1 2 321.808 2.714 20 10 DFCDLO Cc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)cc[nH+]1 ZINC000266093872 527350311 /nfs/dbraw/zinc/35/03/11/527350311.db2.gz FPGLAKWUOYCBKZ-UHFFFAOYSA-N 1 2 312.417 2.606 20 10 DFCDLO CCc1cnc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000083115120 185213193 /nfs/dbraw/zinc/21/31/93/185213193.db2.gz MUGBPFDTGBBMKX-UHFFFAOYSA-N 1 2 306.387 2.772 20 10 DFCDLO CCc1cnc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)s1 ZINC000083115120 185213194 /nfs/dbraw/zinc/21/31/94/185213194.db2.gz MUGBPFDTGBBMKX-UHFFFAOYSA-N 1 2 306.387 2.772 20 10 DFCDLO CCc1noc([C@@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000042651838 398598768 /nfs/dbraw/zinc/59/87/68/398598768.db2.gz XMNFBYYPKJNCKF-CYBMUJFWSA-N 1 2 316.405 2.524 20 10 DFCDLO CNC(=O)CCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093717801 283295052 /nfs/dbraw/zinc/29/50/52/283295052.db2.gz WEJRLPOKWYBSCH-UHFFFAOYSA-N 1 2 305.205 2.657 20 10 DFCDLO CNC(=O)CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093717801 283295056 /nfs/dbraw/zinc/29/50/56/283295056.db2.gz WEJRLPOKWYBSCH-UHFFFAOYSA-N 1 2 305.205 2.657 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)c(F)c1O ZINC000364802449 299393907 /nfs/dbraw/zinc/39/39/07/299393907.db2.gz GABZZNCZAXMATN-LYOVBCGYSA-N 1 2 313.344 2.659 20 10 DFCDLO Cc1c([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cnn1C ZINC000273391242 130116315 /nfs/dbraw/zinc/11/63/15/130116315.db2.gz KVEITPDCZLYSMB-UWVGGRQHSA-N 1 2 304.350 2.754 20 10 DFCDLO C[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000369553533 131271294 /nfs/dbraw/zinc/27/12/94/131271294.db2.gz VAHFSRGPQGFNBG-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000369553533 131271296 /nfs/dbraw/zinc/27/12/96/131271296.db2.gz VAHFSRGPQGFNBG-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO OCCC[N@H+](Cc1ccccn1)Cc1cccc(Cl)c1O ZINC000289178013 131364130 /nfs/dbraw/zinc/36/41/30/131364130.db2.gz AEIFODQGRNZNDF-UHFFFAOYSA-N 1 2 306.793 2.825 20 10 DFCDLO OCCC[N@@H+](Cc1ccccn1)Cc1cccc(Cl)c1O ZINC000289178013 131364131 /nfs/dbraw/zinc/36/41/31/131364131.db2.gz AEIFODQGRNZNDF-UHFFFAOYSA-N 1 2 306.793 2.825 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)NCc1[nH+]ccn1CC ZINC000298104144 132046842 /nfs/dbraw/zinc/04/68/42/132046842.db2.gz MKEIBSIHOSEZAL-UHFFFAOYSA-N 1 2 316.405 2.730 20 10 DFCDLO CC[C@@H]([NH2+]CCOCCO)c1cc(Cl)cc(Cl)c1O ZINC000287103507 286908445 /nfs/dbraw/zinc/90/84/45/286908445.db2.gz WZDXFEVEZAJLHY-GFCCVEGCSA-N 1 2 308.205 2.749 20 10 DFCDLO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1O ZINC000287765784 286920596 /nfs/dbraw/zinc/92/05/96/286920596.db2.gz REOGIBCGBLQWNK-GXFFZTMASA-N 1 2 319.854 2.910 20 10 DFCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1nncn1C ZINC000037017366 425847070 /nfs/dbraw/zinc/84/70/70/425847070.db2.gz RZMVHVRHTYQHPD-SSDOTTSWSA-N 1 2 301.177 2.678 20 10 DFCDLO CC1(C)COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000133547675 426181409 /nfs/dbraw/zinc/18/14/09/426181409.db2.gz WOCNVSRFGSHIFS-UHFFFAOYSA-N 1 2 300.196 2.766 20 10 DFCDLO CC1(C)COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000133547675 426181412 /nfs/dbraw/zinc/18/14/12/426181412.db2.gz WOCNVSRFGSHIFS-UHFFFAOYSA-N 1 2 300.196 2.766 20 10 DFCDLO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461957 426194050 /nfs/dbraw/zinc/19/40/50/426194050.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 1 2 322.424 2.896 20 10 DFCDLO CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461957 426194051 /nfs/dbraw/zinc/19/40/51/426194051.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 1 2 322.424 2.896 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3ccn(C(C)C)n3)CC2)cc1 ZINC000172332707 426225048 /nfs/dbraw/zinc/22/50/48/426225048.db2.gz XKWLFUMBJGHDJE-UHFFFAOYSA-N 1 2 314.433 2.795 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ccsc3)C1)OCO2 ZINC000122227021 426364475 /nfs/dbraw/zinc/36/44/75/426364475.db2.gz KFGRCHIBOIXBEE-INIZCTEOSA-N 1 2 319.382 2.756 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3ccsc3)C1)OCO2 ZINC000122227021 426364478 /nfs/dbraw/zinc/36/44/78/426364478.db2.gz KFGRCHIBOIXBEE-INIZCTEOSA-N 1 2 319.382 2.756 20 10 DFCDLO CCc1nnc([C@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)o1 ZINC000280572092 426604593 /nfs/dbraw/zinc/60/45/93/426604593.db2.gz VXBAPQMKBXWSIS-GFCCVEGCSA-N 1 2 323.780 2.565 20 10 DFCDLO CCc1nnc([C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)o1 ZINC000280572092 426604599 /nfs/dbraw/zinc/60/45/99/426604599.db2.gz VXBAPQMKBXWSIS-GFCCVEGCSA-N 1 2 323.780 2.565 20 10 DFCDLO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc(Cl)c1O ZINC000225927204 426616927 /nfs/dbraw/zinc/61/69/27/426616927.db2.gz GCXCRYMOCFZJES-UHFFFAOYSA-N 1 2 300.786 2.660 20 10 DFCDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1OC ZINC000234862187 426658781 /nfs/dbraw/zinc/65/87/81/426658781.db2.gz KPVVEZLKZGUBKF-TXEJJXNPSA-N 1 2 306.189 2.545 20 10 DFCDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1OC ZINC000234862187 426658786 /nfs/dbraw/zinc/65/87/86/426658786.db2.gz KPVVEZLKZGUBKF-TXEJJXNPSA-N 1 2 306.189 2.545 20 10 DFCDLO CC(C)(O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000187499038 426667960 /nfs/dbraw/zinc/66/79/60/426667960.db2.gz CUERXKCJQFGONX-UHFFFAOYSA-N 1 2 316.357 2.818 20 10 DFCDLO CC[N@H+](CCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236846592 426687301 /nfs/dbraw/zinc/68/73/01/426687301.db2.gz NXBPWPFHXWVMNU-UHFFFAOYSA-N 1 2 311.429 2.844 20 10 DFCDLO CC[N@@H+](CCCNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236846592 426687305 /nfs/dbraw/zinc/68/73/05/426687305.db2.gz NXBPWPFHXWVMNU-UHFFFAOYSA-N 1 2 311.429 2.844 20 10 DFCDLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000289810570 426674541 /nfs/dbraw/zinc/67/45/41/426674541.db2.gz NMSUSYYGHMERCX-GFCCVEGCSA-N 1 2 317.345 2.540 20 10 DFCDLO Cc1noc([C@H]2CCCC[N@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000289810570 426674546 /nfs/dbraw/zinc/67/45/46/426674546.db2.gz NMSUSYYGHMERCX-GFCCVEGCSA-N 1 2 317.345 2.540 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)[S@@]1=O ZINC000289821613 426675768 /nfs/dbraw/zinc/67/57/68/426675768.db2.gz TZVXKDNUCZGMLL-YOEYROIRSA-N 1 2 312.454 2.623 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)[S@@]1=O ZINC000289821613 426675771 /nfs/dbraw/zinc/67/57/71/426675771.db2.gz TZVXKDNUCZGMLL-YOEYROIRSA-N 1 2 312.454 2.623 20 10 DFCDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289966224 426677948 /nfs/dbraw/zinc/67/79/48/426677948.db2.gz ZGNGTXJIUSIMSB-LLVKDONJSA-N 1 2 321.751 2.910 20 10 DFCDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289966224 426677951 /nfs/dbraw/zinc/67/79/51/426677951.db2.gz ZGNGTXJIUSIMSB-LLVKDONJSA-N 1 2 321.751 2.910 20 10 DFCDLO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)c(F)c1O ZINC000187724437 426689077 /nfs/dbraw/zinc/68/90/77/426689077.db2.gz AMFZUYJFTGJZEB-LXGOIASLSA-N 1 2 305.390 2.868 20 10 DFCDLO COc1ncccc1CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000290175527 426711178 /nfs/dbraw/zinc/71/11/78/426711178.db2.gz NBEQQGDXQDCQNF-SNVBAGLBSA-N 1 2 308.328 2.967 20 10 DFCDLO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc(F)c(F)c1O ZINC000187789084 426692558 /nfs/dbraw/zinc/69/25/58/426692558.db2.gz KOKNRYKCRVTEEC-LLVKDONJSA-N 1 2 315.360 2.907 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1O ZINC000275538432 426867557 /nfs/dbraw/zinc/86/75/57/426867557.db2.gz YHMMDPXMCVUPTR-CQSZACIVSA-N 1 2 311.809 2.841 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1O ZINC000275538432 426867561 /nfs/dbraw/zinc/86/75/61/426867561.db2.gz YHMMDPXMCVUPTR-CQSZACIVSA-N 1 2 311.809 2.841 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cccc(OCC)c2O)no1 ZINC000291658480 426943290 /nfs/dbraw/zinc/94/32/90/426943290.db2.gz VFEQEWWUXFILPH-LLVKDONJSA-N 1 2 321.377 2.561 20 10 DFCDLO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000276930224 427126244 /nfs/dbraw/zinc/12/62/44/427126244.db2.gz OAFMQUYHDHAOKI-NXEZZACHSA-N 1 2 314.332 2.552 20 10 DFCDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cocn3)cc2F)C[C@@H](C)O1 ZINC000276964848 427128343 /nfs/dbraw/zinc/12/83/43/427128343.db2.gz FCXDWWKHGJKIBS-CHWSQXEVSA-N 1 2 319.380 2.717 20 10 DFCDLO CCCN(Cc1ccccc1O)c1ncnc2c1C[N@H+](C)CC2 ZINC000269341855 427173564 /nfs/dbraw/zinc/17/35/64/427173564.db2.gz HFUUMPDTDVSRBN-UHFFFAOYSA-N 1 2 312.417 2.587 20 10 DFCDLO CCCN(Cc1ccccc1O)c1ncnc2c1C[N@@H+](C)CC2 ZINC000269341855 427173567 /nfs/dbraw/zinc/17/35/67/427173567.db2.gz HFUUMPDTDVSRBN-UHFFFAOYSA-N 1 2 312.417 2.587 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c1O ZINC000277432244 427199979 /nfs/dbraw/zinc/19/99/79/427199979.db2.gz JORJXGJRPHSUMG-APBUJDDRSA-N 1 2 301.839 2.554 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)c1O ZINC000277432244 427199987 /nfs/dbraw/zinc/19/99/87/427199987.db2.gz JORJXGJRPHSUMG-APBUJDDRSA-N 1 2 301.839 2.554 20 10 DFCDLO CC[C@@](C)([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(=O)OC ZINC000293067003 427214583 /nfs/dbraw/zinc/21/45/83/427214583.db2.gz GTNZQTHFCWZCAI-OAHLLOKOSA-N 1 2 313.781 2.680 20 10 DFCDLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000277511730 427227494 /nfs/dbraw/zinc/22/74/94/427227494.db2.gz WLXDSULEEUAGSY-UWVGGRQHSA-N 1 2 319.365 2.783 20 10 DFCDLO COc1c(O)c(C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278305017 427426376 /nfs/dbraw/zinc/42/63/76/427426376.db2.gz WGXJWGJPCNRABL-NSHDSACASA-N 1 2 317.345 2.687 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCn3cccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278305017 427426385 /nfs/dbraw/zinc/42/63/85/427426385.db2.gz WGXJWGJPCNRABL-NSHDSACASA-N 1 2 317.345 2.687 20 10 DFCDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733569 427647213 /nfs/dbraw/zinc/64/72/13/427647213.db2.gz QGCCYSAPTLTSHG-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733569 427647227 /nfs/dbraw/zinc/64/72/27/427647227.db2.gz QGCCYSAPTLTSHG-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc(Cl)c1O ZINC000287716470 427676304 /nfs/dbraw/zinc/67/63/04/427676304.db2.gz OJZNGGSBIIRDIB-HUUCEWRRSA-N 1 2 313.825 2.874 20 10 DFCDLO CC(C)c1nnc([C@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)o1 ZINC000279720504 427714509 /nfs/dbraw/zinc/71/45/09/427714509.db2.gz UPOQHNPNCTYBQY-CYBMUJFWSA-N 1 2 321.352 2.611 20 10 DFCDLO CC(C)c1nnc([C@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)o1 ZINC000279720504 427714513 /nfs/dbraw/zinc/71/45/13/427714513.db2.gz UPOQHNPNCTYBQY-CYBMUJFWSA-N 1 2 321.352 2.611 20 10 DFCDLO O=S1(=O)C[C@H]([NH2+]Cc2c(O)cccc2Cl)c2ccccc21 ZINC000370354609 428190889 /nfs/dbraw/zinc/19/08/89/428190889.db2.gz FKXRJLMPXQKFJA-ZDUSSCGKSA-N 1 2 323.801 2.664 20 10 DFCDLO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)n1 ZINC000371423851 428388655 /nfs/dbraw/zinc/38/86/55/428388655.db2.gz DXMAAQNVKAHQFW-CQSZACIVSA-N 1 2 320.824 2.919 20 10 DFCDLO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)n1 ZINC000371423851 428388663 /nfs/dbraw/zinc/38/86/63/428388663.db2.gz DXMAAQNVKAHQFW-CQSZACIVSA-N 1 2 320.824 2.919 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1c1ccccc1)OCO2 ZINC000371791846 428405613 /nfs/dbraw/zinc/40/56/13/428405613.db2.gz DEGZBKUNKHUIOM-OAHLLOKOSA-N 1 2 313.353 2.694 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCOC[C@@H]1c1ccccc1)OCO2 ZINC000371791846 428405618 /nfs/dbraw/zinc/40/56/18/428405618.db2.gz DEGZBKUNKHUIOM-OAHLLOKOSA-N 1 2 313.353 2.694 20 10 DFCDLO CCc1nc([C@@H]2C[N@H+]([C@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486188 428453725 /nfs/dbraw/zinc/45/37/25/428453725.db2.gz VIHDNOCJIZIFDA-HIFRSBDPSA-N 1 2 316.405 2.597 20 10 DFCDLO CCc1nc([C@@H]2C[N@@H+]([C@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486188 428453728 /nfs/dbraw/zinc/45/37/28/428453728.db2.gz VIHDNOCJIZIFDA-HIFRSBDPSA-N 1 2 316.405 2.597 20 10 DFCDLO CCOc1cccc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372900574 428505044 /nfs/dbraw/zinc/50/50/44/428505044.db2.gz AMUMLOIQXDAOGF-MRXNPFEDSA-N 1 2 324.384 2.788 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000373710720 428637464 /nfs/dbraw/zinc/63/74/64/428637464.db2.gz ZZOOFWDDJNQLJS-HUUCEWRRSA-N 1 2 323.820 2.924 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000373710720 428637471 /nfs/dbraw/zinc/63/74/71/428637471.db2.gz ZZOOFWDDJNQLJS-HUUCEWRRSA-N 1 2 323.820 2.924 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C)c1O ZINC000374189805 428667059 /nfs/dbraw/zinc/66/70/59/428667059.db2.gz LHZWYVNRFNAYFX-IRXDYDNUSA-N 1 2 320.408 2.793 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C)c1O ZINC000374189805 428667063 /nfs/dbraw/zinc/66/70/63/428667063.db2.gz LHZWYVNRFNAYFX-IRXDYDNUSA-N 1 2 320.408 2.793 20 10 DFCDLO Oc1ccc(F)cc1C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000374898874 428781598 /nfs/dbraw/zinc/78/15/98/428781598.db2.gz RMAVENKOSBPLIX-UHFFFAOYSA-N 1 2 315.270 2.832 20 10 DFCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1cccc(F)c1O ZINC000368118131 429792946 /nfs/dbraw/zinc/79/29/46/429792946.db2.gz HAXADETWYLLHHJ-INIZCTEOSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(F)c1O ZINC000368118131 429792949 /nfs/dbraw/zinc/79/29/49/429792949.db2.gz HAXADETWYLLHHJ-INIZCTEOSA-N 1 2 314.360 2.513 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3ncccc3C2)c1O ZINC000368327892 429831074 /nfs/dbraw/zinc/83/10/74/429831074.db2.gz HEOBTUZOKXTGTI-UHFFFAOYSA-N 1 2 300.333 2.687 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3ncccc3C2)c1O ZINC000368327892 429831079 /nfs/dbraw/zinc/83/10/79/429831079.db2.gz HEOBTUZOKXTGTI-UHFFFAOYSA-N 1 2 300.333 2.687 20 10 DFCDLO CCc1nnc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)o1 ZINC000369291243 429922527 /nfs/dbraw/zinc/92/25/27/429922527.db2.gz XHMVFDHSSFECGI-ZDUSSCGKSA-N 1 2 323.780 2.565 20 10 DFCDLO CCc1nnc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)o1 ZINC000369291243 429922528 /nfs/dbraw/zinc/92/25/28/429922528.db2.gz XHMVFDHSSFECGI-ZDUSSCGKSA-N 1 2 323.780 2.565 20 10 DFCDLO CCC(C)(C)OC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000529640161 430044466 /nfs/dbraw/zinc/04/44/66/430044466.db2.gz HSUUHQFUEPNWCN-UHFFFAOYSA-N 1 2 309.406 2.799 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000565033834 430202904 /nfs/dbraw/zinc/20/29/04/430202904.db2.gz FQPDMKBVFNMUHX-CQSZACIVSA-N 1 2 322.412 2.562 20 10 DFCDLO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000279086765 278197685 /nfs/dbraw/zinc/19/76/85/278197685.db2.gz NCVRHKDXSCHGGV-VIFPVBQESA-N 1 2 321.327 2.875 20 10 DFCDLO CC[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc(Cl)c1O ZINC000287716467 288047959 /nfs/dbraw/zinc/04/79/59/288047959.db2.gz OJZNGGSBIIRDIB-GJZGRUSLSA-N 1 2 313.825 2.874 20 10 DFCDLO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc(Cl)cc(Cl)c1O ZINC000287752259 288050415 /nfs/dbraw/zinc/05/04/15/288050415.db2.gz QJMBOZVGZKRFSP-GXTWGEPZSA-N 1 2 320.216 2.891 20 10 DFCDLO CC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1O ZINC000287787198 288072609 /nfs/dbraw/zinc/07/26/09/288072609.db2.gz SLVBZVJSUHLXQI-MFKMUULPSA-N 1 2 306.797 2.693 20 10 DFCDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nncn1C ZINC000294588425 280327234 /nfs/dbraw/zinc/32/72/34/280327234.db2.gz HFXXNFKIFOWCJK-ZDUSSCGKSA-N 1 2 312.776 2.800 20 10 DFCDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000273407565 290034431 /nfs/dbraw/zinc/03/44/31/290034431.db2.gz OTADFUXCNDAENL-PZDALLCQSA-N 1 2 314.341 2.609 20 10 DFCDLO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186203412 293171795 /nfs/dbraw/zinc/17/17/95/293171795.db2.gz UCPQJEILZCIGEZ-DTWKUNHWSA-N 1 2 308.205 2.747 20 10 DFCDLO COc1ccc(N2CC[NH+]([C@H](C)c3cnccn3)CC2)cc1F ZINC000184611754 333198870 /nfs/dbraw/zinc/19/88/70/333198870.db2.gz SYORUIACSSNZJA-CYBMUJFWSA-N 1 2 316.380 2.508 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364508927 333324674 /nfs/dbraw/zinc/32/46/74/333324674.db2.gz LNUGXEBDEHJACY-LLVKDONJSA-N 1 2 313.188 2.738 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364508927 333324675 /nfs/dbraw/zinc/32/46/75/333324675.db2.gz LNUGXEBDEHJACY-LLVKDONJSA-N 1 2 313.188 2.738 20 10 DFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnc(C)s2)c1 ZINC000274197349 334056797 /nfs/dbraw/zinc/05/67/97/334056797.db2.gz KWIHILGIHZWRFX-BDAKNGLRSA-N 1 2 321.402 2.751 20 10 DFCDLO CN(C)C(=O)C1([NH2+]Cc2cccc(Cl)c2O)CCCCC1 ZINC000295116583 334218871 /nfs/dbraw/zinc/21/88/71/334218871.db2.gz WVOSUBKRBOSWGW-UHFFFAOYSA-N 1 2 310.825 2.926 20 10 DFCDLO COc1ccc([NH+]2CCC(Nc3nnc(C)s3)CC2)cc1 ZINC000301354691 336302253 /nfs/dbraw/zinc/30/22/53/336302253.db2.gz LVKOGWBERZCIJQ-UHFFFAOYSA-N 1 2 304.419 2.936 20 10 DFCDLO CNc1nc(N(C)Cc2ccccc2O)[nH+]cc1Br ZINC000302670877 336364292 /nfs/dbraw/zinc/36/42/92/336364292.db2.gz RKQQVJDFOUMTMS-UHFFFAOYSA-N 1 2 323.194 2.623 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000362236484 336788997 /nfs/dbraw/zinc/78/89/97/336788997.db2.gz MTQSWKNXPOCDPL-CYBMUJFWSA-N 1 2 318.808 2.594 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000367669727 336827806 /nfs/dbraw/zinc/82/78/06/336827806.db2.gz LNTRCZGYICAHOA-CZUORRHYSA-N 1 2 305.761 2.630 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000367669728 336827836 /nfs/dbraw/zinc/82/78/36/336827836.db2.gz LNTRCZGYICAHOA-XJKSGUPXSA-N 1 2 305.761 2.630 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000377887155 337063441 /nfs/dbraw/zinc/06/34/41/337063441.db2.gz DAFUEMHPYCSTKO-UHFFFAOYSA-N 1 2 322.758 2.958 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000377887155 337063442 /nfs/dbraw/zinc/06/34/42/337063442.db2.gz DAFUEMHPYCSTKO-UHFFFAOYSA-N 1 2 322.758 2.958 20 10 DFCDLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000378351772 337070718 /nfs/dbraw/zinc/07/07/18/337070718.db2.gz SZPMNXLXLDTVDN-ZDUSSCGKSA-N 1 2 303.362 2.819 20 10 DFCDLO COc1cccc(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c1O ZINC000378351772 337070719 /nfs/dbraw/zinc/07/07/19/337070719.db2.gz SZPMNXLXLDTVDN-ZDUSSCGKSA-N 1 2 303.362 2.819 20 10 DFCDLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(O)c1O ZINC000177675888 337158428 /nfs/dbraw/zinc/15/84/28/337158428.db2.gz SBNZKFZRFMQYNO-UHFFFAOYSA-N 1 2 323.352 2.522 20 10 DFCDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191297683 337295517 /nfs/dbraw/zinc/29/55/17/337295517.db2.gz NCQLWIZWTUZGMK-NSHDSACASA-N 1 2 310.760 2.709 20 10 DFCDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000267619950 523471423 /nfs/dbraw/zinc/47/14/23/523471423.db2.gz KOMCQBJMSAJCSE-VIFPVBQESA-N 1 2 323.374 2.754 20 10 DFCDLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000228099449 524089432 /nfs/dbraw/zinc/08/94/32/524089432.db2.gz PGEGCQAGDOBBQS-AWEZNQCLSA-N 1 2 317.216 2.657 20 10 DFCDLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000228099449 524089434 /nfs/dbraw/zinc/08/94/34/524089434.db2.gz PGEGCQAGDOBBQS-AWEZNQCLSA-N 1 2 317.216 2.657 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3noc(C(C)C)n3)C2)c1O ZINC000364907957 524404339 /nfs/dbraw/zinc/40/43/39/524404339.db2.gz ZANAUPSKKPXZFL-CQSZACIVSA-N 1 2 317.389 2.781 20 10 DFCDLO Cc1cccc(C[N@H+]2CCO[C@@H](c3noc(C(C)C)n3)C2)c1O ZINC000364907957 524404346 /nfs/dbraw/zinc/40/43/46/524404346.db2.gz ZANAUPSKKPXZFL-CQSZACIVSA-N 1 2 317.389 2.781 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000127034509 524983519 /nfs/dbraw/zinc/98/35/19/524983519.db2.gz BPNAYKHTOSATKU-AOOOYVTPSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000127034509 524983528 /nfs/dbraw/zinc/98/35/28/524983528.db2.gz BPNAYKHTOSATKU-AOOOYVTPSA-N 1 2 300.196 2.764 20 10 DFCDLO O=C(C1CCCCC1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179998686 526299862 /nfs/dbraw/zinc/29/98/62/526299862.db2.gz QIOALSXPCKPBON-UHFFFAOYSA-N 1 2 320.408 2.756 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000180032004 526325801 /nfs/dbraw/zinc/32/58/01/526325801.db2.gz ZHJXJPYETBLTEY-AWEZNQCLSA-N 1 2 324.852 2.590 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000180032004 526325805 /nfs/dbraw/zinc/32/58/05/526325805.db2.gz ZHJXJPYETBLTEY-AWEZNQCLSA-N 1 2 324.852 2.590 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000180079781 526327417 /nfs/dbraw/zinc/32/74/17/526327417.db2.gz HSXWFVWJZCZBMY-UHFFFAOYSA-N 1 2 318.808 2.912 20 10 DFCDLO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(Cl)cc(Cl)c1O ZINC000287752282 535805207 /nfs/dbraw/zinc/80/52/07/535805207.db2.gz QJMBOZVGZKRFSP-TZMCWYRMSA-N 1 2 320.216 2.891 20 10 DFCDLO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)c(F)c1O ZINC000276873393 299296264 /nfs/dbraw/zinc/29/62/64/299296264.db2.gz FANRLZSGDSJARW-QMMMGPOBSA-N 1 2 312.282 2.815 20 10 DFCDLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000188496614 200256304 /nfs/dbraw/zinc/25/63/04/200256304.db2.gz JWHRHXZNKIHTGO-QMMMGPOBSA-N 1 2 305.205 2.655 20 10 DFCDLO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000185974288 299310772 /nfs/dbraw/zinc/31/07/72/299310772.db2.gz ZIASFWGKEOTCJO-VHSXEESVSA-N 1 2 319.232 2.680 20 10 DFCDLO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)c(Cl)c1O ZINC000287138852 299324905 /nfs/dbraw/zinc/32/49/05/299324905.db2.gz ANWDVFNDKZPBOV-ZETCQYMHSA-N 1 2 301.177 2.678 20 10 DFCDLO COc1cccc(C[N@@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000093459957 193255524 /nfs/dbraw/zinc/25/55/24/193255524.db2.gz MFNOJLHMGHUDEB-AWEZNQCLSA-N 1 2 303.358 2.876 20 10 DFCDLO COc1cccc(C[N@H+]2CCOC[C@H]2c2ccc(C)o2)c1O ZINC000093459957 193255525 /nfs/dbraw/zinc/25/55/25/193255525.db2.gz MFNOJLHMGHUDEB-AWEZNQCLSA-N 1 2 303.358 2.876 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1O ZINC000187753370 296157786 /nfs/dbraw/zinc/15/77/86/296157786.db2.gz LPWMDAPDUCVRMK-WKFLNTIRSA-N 1 2 305.324 2.979 20 10 DFCDLO C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272323237 130021299 /nfs/dbraw/zinc/02/12/99/130021299.db2.gz UTFQXUPHNCUBNC-CQSZACIVSA-N 1 2 315.392 2.805 20 10 DFCDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000272323237 130021301 /nfs/dbraw/zinc/02/13/01/130021301.db2.gz UTFQXUPHNCUBNC-CQSZACIVSA-N 1 2 315.392 2.805 20 10 DFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000272688860 130054265 /nfs/dbraw/zinc/05/42/65/130054265.db2.gz WRULEDSVMJAHPK-MRXNPFEDSA-N 1 2 301.361 2.975 20 10 DFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000272688860 130054267 /nfs/dbraw/zinc/05/42/67/130054267.db2.gz WRULEDSVMJAHPK-MRXNPFEDSA-N 1 2 301.361 2.975 20 10 DFCDLO C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467925 130125002 /nfs/dbraw/zinc/12/50/02/130125002.db2.gz FDHJYWPTLNCYNK-LBPRGKRZSA-N 1 2 316.361 2.848 20 10 DFCDLO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O ZINC000273489252 130127640 /nfs/dbraw/zinc/12/76/40/130127640.db2.gz NVEKWQHOOAJQLA-AAEUAGOBSA-N 1 2 322.361 2.637 20 10 DFCDLO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273542882 130133237 /nfs/dbraw/zinc/13/32/37/130133237.db2.gz YQEGVRFCYZQLCV-BMIGLBTASA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273587907 130140927 /nfs/dbraw/zinc/14/09/27/130140927.db2.gz OHKUGYPWOSWLFQ-YMTOWFKASA-N 1 2 308.359 2.746 20 10 DFCDLO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273619271 130145832 /nfs/dbraw/zinc/14/58/32/130145832.db2.gz YMVUFQXZLLUXKM-YVEFUNNKSA-N 1 2 316.357 2.993 20 10 DFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnc(C)s2)c1 ZINC000274197363 130215123 /nfs/dbraw/zinc/21/51/23/130215123.db2.gz KWIHILGIHZWRFX-RKDXNWHRSA-N 1 2 321.402 2.751 20 10 DFCDLO CCOc1ccc([N@H+](CC)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000284293367 131067761 /nfs/dbraw/zinc/06/77/61/131067761.db2.gz YTGSYPULYBALOS-CQSZACIVSA-N 1 2 311.447 2.736 20 10 DFCDLO CCOc1ccc([N@@H+](CC)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000284293367 131067762 /nfs/dbraw/zinc/06/77/62/131067762.db2.gz YTGSYPULYBALOS-CQSZACIVSA-N 1 2 311.447 2.736 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O ZINC000273489256 287033960 /nfs/dbraw/zinc/03/39/60/287033960.db2.gz NVEKWQHOOAJQLA-DGCLKSJQSA-N 1 2 322.361 2.637 20 10 DFCDLO CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000133334284 426173828 /nfs/dbraw/zinc/17/38/28/426173828.db2.gz KUEGQTZIMAAURR-UHFFFAOYSA-N 1 2 317.216 2.657 20 10 DFCDLO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)c(Cl)c1O ZINC000186505658 426541680 /nfs/dbraw/zinc/54/16/80/426541680.db2.gz UXCZRMJHVCKUHG-QMMMGPOBSA-N 1 2 317.216 2.876 20 10 DFCDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCSC1 ZINC000226403487 426619982 /nfs/dbraw/zinc/61/99/82/426619982.db2.gz AUXFNLKTRBPFIK-VIFPVBQESA-N 1 2 302.237 2.997 20 10 DFCDLO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273374633 426653754 /nfs/dbraw/zinc/65/37/54/426653754.db2.gz GWPODOYMAFBNLP-JTQLQIEISA-N 1 2 320.320 2.783 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](C)[S@]1=O ZINC000289667876 426671557 /nfs/dbraw/zinc/67/15/57/426671557.db2.gz NKKSHEGIRZHAAY-UDTOPMKXSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](C)[S@]1=O ZINC000289667876 426671559 /nfs/dbraw/zinc/67/15/59/426671559.db2.gz NKKSHEGIRZHAAY-UDTOPMKXSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[S@@]1=O ZINC000289821609 426676004 /nfs/dbraw/zinc/67/60/04/426676004.db2.gz TZVXKDNUCZGMLL-UPBLURMWSA-N 1 2 312.454 2.623 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[S@@]1=O ZINC000289821609 426676007 /nfs/dbraw/zinc/67/60/07/426676007.db2.gz TZVXKDNUCZGMLL-UPBLURMWSA-N 1 2 312.454 2.623 20 10 DFCDLO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000187756736 426691310 /nfs/dbraw/zinc/69/13/10/426691310.db2.gz ASIQKHMWMZEENE-MNOVXSKESA-N 1 2 301.333 2.517 20 10 DFCDLO O=C(NC1CC[NH+](Cc2cccc(Cl)c2O)CC1)C1CC1 ZINC000179662400 426810349 /nfs/dbraw/zinc/81/03/49/426810349.db2.gz YMEDKCGGXWCEQM-UHFFFAOYSA-N 1 2 308.809 2.536 20 10 DFCDLO Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)c(C)n1-c1ccccc1 ZINC000290977873 426873048 /nfs/dbraw/zinc/87/30/48/426873048.db2.gz VCPMJCBQVYSOOT-UHFFFAOYSA-N 1 2 320.396 2.947 20 10 DFCDLO Cc1cc(Br)cc(CN2CCn3c[nH+]cc3C2)c1O ZINC000291469547 426889216 /nfs/dbraw/zinc/88/92/16/426889216.db2.gz DSUPNWFOEDRROE-UHFFFAOYSA-N 1 2 322.206 2.675 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3ccc(F)cn3)CC2)cc1 ZINC000276198839 427006967 /nfs/dbraw/zinc/00/69/67/427006967.db2.gz FADXYDITVKLILR-UHFFFAOYSA-N 1 2 301.365 2.552 20 10 DFCDLO CCc1nnc(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)[nH]1 ZINC000295995740 427041953 /nfs/dbraw/zinc/04/19/53/427041953.db2.gz KNOMWUJJSBJZHC-UHFFFAOYSA-N 1 2 301.177 2.669 20 10 DFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000248832065 427047203 /nfs/dbraw/zinc/04/72/03/427047203.db2.gz LJURSMHPGBNUJG-SUHUHFCYSA-N 1 2 309.793 2.819 20 10 DFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000248832065 427047208 /nfs/dbraw/zinc/04/72/08/427047208.db2.gz LJURSMHPGBNUJG-SUHUHFCYSA-N 1 2 309.793 2.819 20 10 DFCDLO CC[C@@H]([NH2+]CCCc1cnn(C)n1)c1cccc(Cl)c1O ZINC000293659902 427395973 /nfs/dbraw/zinc/39/59/73/427395973.db2.gz INGJIASCRNRJAD-CQSZACIVSA-N 1 2 308.813 2.848 20 10 DFCDLO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc(Cl)c1O ZINC000287199770 427554890 /nfs/dbraw/zinc/55/48/90/427554890.db2.gz WGQKIMASWQYSDF-BLVKFPJESA-N 1 2 301.839 2.997 20 10 DFCDLO CC(C)[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000271771661 427585891 /nfs/dbraw/zinc/58/58/91/427585891.db2.gz BRKITUQHSGUECW-HNNXBMFYSA-N 1 2 323.389 2.577 20 10 DFCDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294821228 427659183 /nfs/dbraw/zinc/65/91/83/427659183.db2.gz XOAIIIPBMWUVBB-UHFFFAOYSA-N 1 2 312.776 2.821 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000294859744 427662787 /nfs/dbraw/zinc/66/27/87/427662787.db2.gz JJTSHSQQYGIASJ-UHFFFAOYSA-N 1 2 321.783 2.902 20 10 DFCDLO C[C@H]([NH2+]CC(F)(F)CO)c1cc(Cl)c(Cl)cc1O ZINC000193296474 427683293 /nfs/dbraw/zinc/68/32/93/427683293.db2.gz JVBQJSWBTONANC-LURJTMIESA-N 1 2 300.132 2.977 20 10 DFCDLO c1cn(-c2cccc(NCc3ccc(N4CCCC4)cc3)n2)c[nH+]1 ZINC000370750432 428290539 /nfs/dbraw/zinc/29/05/39/428290539.db2.gz QSSAVMBWTGTMEY-UHFFFAOYSA-N 1 2 319.412 3.480 20 10 DFCDLO CCc1nc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)no1 ZINC000371384692 428385633 /nfs/dbraw/zinc/38/56/33/428385633.db2.gz UMCCWYAUIOWISH-LBPRGKRZSA-N 1 2 303.362 2.683 20 10 DFCDLO CCc1nc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2O)no1 ZINC000371384692 428385641 /nfs/dbraw/zinc/38/56/41/428385641.db2.gz UMCCWYAUIOWISH-LBPRGKRZSA-N 1 2 303.362 2.683 20 10 DFCDLO Cc1cccc(C[N@@H+](C)[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000362048089 428612633 /nfs/dbraw/zinc/61/26/33/428612633.db2.gz UYSOLQUMKHOUIY-OAHLLOKOSA-N 1 2 317.410 2.661 20 10 DFCDLO Cc1cccc(C[N@H+](C)[C@@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000362048089 428612637 /nfs/dbraw/zinc/61/26/37/428612637.db2.gz UYSOLQUMKHOUIY-OAHLLOKOSA-N 1 2 317.410 2.661 20 10 DFCDLO CN(C)c1ccc(C2=CC[N@H+](Cc3nc(C4CC4)no3)C2)cc1 ZINC000374326694 428674805 /nfs/dbraw/zinc/67/48/05/428674805.db2.gz UBQWWYIKCVUUMX-UHFFFAOYSA-N 1 2 310.401 2.912 20 10 DFCDLO CN(C)c1ccc(C2=CC[N@@H+](Cc3nc(C4CC4)no3)C2)cc1 ZINC000374326694 428674810 /nfs/dbraw/zinc/67/48/10/428674810.db2.gz UBQWWYIKCVUUMX-UHFFFAOYSA-N 1 2 310.401 2.912 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2F)c1O ZINC000363850233 428996850 /nfs/dbraw/zinc/99/68/50/428996850.db2.gz PMQYWBNFIBZJBC-MRXNPFEDSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2F)c1O ZINC000363850233 428996854 /nfs/dbraw/zinc/99/68/54/428996854.db2.gz PMQYWBNFIBZJBC-MRXNPFEDSA-N 1 2 314.360 2.513 20 10 DFCDLO CCCCNc1cc(N2CC=C(c3cccnc3)CC2)nc(N)[nH+]1 ZINC000376409004 429107957 /nfs/dbraw/zinc/10/79/57/429107957.db2.gz QSARPXWXEZPXGI-UHFFFAOYSA-N 1 2 324.432 2.960 20 10 DFCDLO CCCCNc1cc(N2CC=C(c3cccnc3)CC2)[nH+]c(N)n1 ZINC000376409004 429107960 /nfs/dbraw/zinc/10/79/60/429107960.db2.gz QSARPXWXEZPXGI-UHFFFAOYSA-N 1 2 324.432 2.960 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000493835699 429838112 /nfs/dbraw/zinc/83/81/12/429838112.db2.gz KCSIKGZIYWEWBW-WHLNPGIBSA-N 1 2 308.385 2.829 20 10 DFCDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000290251508 277006221 /nfs/dbraw/zinc/00/62/21/277006221.db2.gz VUOYDNXUYLDWKP-GFCCVEGCSA-N 1 2 312.797 2.756 20 10 DFCDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000290251508 277006222 /nfs/dbraw/zinc/00/62/22/277006222.db2.gz VUOYDNXUYLDWKP-GFCCVEGCSA-N 1 2 312.797 2.756 20 10 DFCDLO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273542890 290036993 /nfs/dbraw/zinc/03/69/93/290036993.db2.gz YQEGVRFCYZQLCV-ZUZCIYMTSA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCCOC2)O1 ZINC000366463085 297031865 /nfs/dbraw/zinc/03/18/65/297031865.db2.gz NVATURXSMPEAHV-WBMJQRKESA-N 1 2 311.809 2.816 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCCOC2)O1 ZINC000366463085 297031868 /nfs/dbraw/zinc/03/18/68/297031868.db2.gz NVATURXSMPEAHV-WBMJQRKESA-N 1 2 311.809 2.816 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189977800 333265988 /nfs/dbraw/zinc/26/59/88/333265988.db2.gz SEPYVWGUUUEGGO-UHFFFAOYSA-N 1 2 306.797 2.549 20 10 DFCDLO Oc1cccc(C[NH+]2CCN(Cc3cccc(F)c3O)CC2)c1 ZINC000272267510 334032356 /nfs/dbraw/zinc/03/23/56/334032356.db2.gz KVYVWGJOTXSSAW-UHFFFAOYSA-N 1 2 316.376 2.555 20 10 DFCDLO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460924 334047280 /nfs/dbraw/zinc/04/72/80/334047280.db2.gz CRVYJJIKLSUDJT-CHWSQXEVSA-N 1 2 308.422 2.560 20 10 DFCDLO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460924 334047281 /nfs/dbraw/zinc/04/72/81/334047281.db2.gz CRVYJJIKLSUDJT-CHWSQXEVSA-N 1 2 308.422 2.560 20 10 DFCDLO COC(=O)[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000276424124 334077890 /nfs/dbraw/zinc/07/78/90/334077890.db2.gz GOFLOYDZEUAYEZ-QGZVFWFLSA-N 1 2 302.418 2.718 20 10 DFCDLO COc1ccc(N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)cc1 ZINC000301627319 336319274 /nfs/dbraw/zinc/31/92/74/336319274.db2.gz ACKNBRZLEXDJHP-UHFFFAOYSA-N 1 2 312.417 2.737 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000362236485 336788985 /nfs/dbraw/zinc/78/89/85/336788985.db2.gz MTQSWKNXPOCDPL-ZDUSSCGKSA-N 1 2 318.808 2.594 20 10 DFCDLO COc1cc(Cl)cc(CN2CCn3c(C)c(C)[nH+]c3C2)c1O ZINC000368627404 336849601 /nfs/dbraw/zinc/84/96/01/336849601.db2.gz WWEIYRYEXLZRLM-UHFFFAOYSA-N 1 2 321.808 2.883 20 10 DFCDLO O=S1(=O)C[C@@H]([NH2+]Cc2c(O)cccc2Cl)c2ccccc21 ZINC000370354608 336882939 /nfs/dbraw/zinc/88/29/39/336882939.db2.gz FKXRJLMPXQKFJA-CYBMUJFWSA-N 1 2 323.801 2.664 20 10 DFCDLO CCOCCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000371535897 336907358 /nfs/dbraw/zinc/90/73/58/336907358.db2.gz QRHIALUQAUWZIQ-UHFFFAOYSA-N 1 2 320.433 2.549 20 10 DFCDLO O=C1OCCC12CC[NH+](Cc1c(O)ccc(Cl)c1F)CC2 ZINC000375462881 337011691 /nfs/dbraw/zinc/01/16/91/337011691.db2.gz VDQLYZBQUNNDKU-UHFFFAOYSA-N 1 2 313.756 2.714 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377690017 337058451 /nfs/dbraw/zinc/05/84/51/337058451.db2.gz FYMDMRXHLYIWQZ-GJZGRUSLSA-N 1 2 311.809 2.734 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377690017 337058452 /nfs/dbraw/zinc/05/84/52/337058452.db2.gz FYMDMRXHLYIWQZ-GJZGRUSLSA-N 1 2 311.809 2.734 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000378339400 337070333 /nfs/dbraw/zinc/07/03/33/337070333.db2.gz DVLOPPOZMOYJQK-OAHLLOKOSA-N 1 2 303.358 2.957 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2ccco2)c1 ZINC000378339400 337070334 /nfs/dbraw/zinc/07/03/34/337070334.db2.gz DVLOPPOZMOYJQK-OAHLLOKOSA-N 1 2 303.358 2.957 20 10 DFCDLO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2[nH+]ccn2C)c1O ZINC000378463612 337073463 /nfs/dbraw/zinc/07/34/63/337073463.db2.gz RHOGWYDWRMROBY-OAHLLOKOSA-N 1 2 317.364 2.805 20 10 DFCDLO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191223753 522156952 /nfs/dbraw/zinc/15/69/52/522156952.db2.gz JAJSTWUYYZIJMS-NXEZZACHSA-N 1 2 300.349 2.626 20 10 DFCDLO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191223735 523968093 /nfs/dbraw/zinc/96/80/93/523968093.db2.gz JAJSTWUYYZIJMS-UWVGGRQHSA-N 1 2 300.349 2.626 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3ncc(C)s3)CC2)cc1F ZINC000180538890 524429951 /nfs/dbraw/zinc/42/99/51/524429951.db2.gz PSRUWKACEGBESX-UHFFFAOYSA-N 1 2 321.421 2.921 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179952564 526325074 /nfs/dbraw/zinc/32/50/74/526325074.db2.gz DTTRNRITZFHGJQ-GFCCVEGCSA-N 1 2 301.217 2.979 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179952564 526325076 /nfs/dbraw/zinc/32/50/76/526325076.db2.gz DTTRNRITZFHGJQ-GFCCVEGCSA-N 1 2 301.217 2.979 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228144189 526340917 /nfs/dbraw/zinc/34/09/17/526340917.db2.gz LKTRRJPJIPJKPK-OCCSQVGLSA-N 1 2 312.207 2.908 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228144189 526340922 /nfs/dbraw/zinc/34/09/22/526340922.db2.gz LKTRRJPJIPJKPK-OCCSQVGLSA-N 1 2 312.207 2.908 20 10 DFCDLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn(C)c[nH+]1 ZINC000684844214 546289847 /nfs/dbraw/zinc/28/98/47/546289847.db2.gz MUANIMVFJKAVRI-IZZDOVSWSA-N 1 2 312.398 2.753 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](COC)C2)cc1F ZINC000093528562 193263849 /nfs/dbraw/zinc/26/38/49/193263849.db2.gz KVCABHLCCMHXTG-OAHLLOKOSA-N 1 2 310.413 2.519 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](COC)C2)cc1F ZINC000093528562 193263850 /nfs/dbraw/zinc/26/38/50/193263850.db2.gz KVCABHLCCMHXTG-OAHLLOKOSA-N 1 2 310.413 2.519 20 10 DFCDLO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1O ZINC000187753404 296166273 /nfs/dbraw/zinc/16/62/73/296166273.db2.gz LPWMDAPDUCVRMK-OELKAKTESA-N 1 2 305.324 2.979 20 10 DFCDLO Cc1csc(N2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC000272228864 130011023 /nfs/dbraw/zinc/01/10/23/130011023.db2.gz DHSYWKLJBYQARY-UHFFFAOYSA-N 1 2 307.394 2.618 20 10 DFCDLO CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc(Cl)c1O ZINC000287047342 131261468 /nfs/dbraw/zinc/26/14/68/131261468.db2.gz MQBFVORUAXOJRY-OAHLLOKOSA-N 1 2 324.852 2.951 20 10 DFCDLO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1cccc(Cl)c1O ZINC000287096280 131264019 /nfs/dbraw/zinc/26/40/19/131264019.db2.gz PTKTZEAXJWVAST-CABZTGNLSA-N 1 2 302.777 2.561 20 10 DFCDLO CC[C@@H]([NH2+]C[C@](C)(O)CCOC)c1cccc(Cl)c1O ZINC000287892208 286913282 /nfs/dbraw/zinc/91/32/82/286913282.db2.gz ZBEAKAZVLMJTSN-UKRRQHHQSA-N 1 2 301.814 2.874 20 10 DFCDLO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037781979 425849420 /nfs/dbraw/zinc/84/94/20/425849420.db2.gz MUISBHAOGOXFDU-SECBINFHSA-N 1 2 317.216 2.800 20 10 DFCDLO COc1ccc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000110111974 426033174 /nfs/dbraw/zinc/03/31/74/426033174.db2.gz XMNKYUDBLYYPFP-UHFFFAOYSA-N 1 2 310.401 2.689 20 10 DFCDLO CC(C)NC(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000133378690 426174691 /nfs/dbraw/zinc/17/46/91/426174691.db2.gz YVUORLQOCAODIZ-UHFFFAOYSA-N 1 2 305.205 2.655 20 10 DFCDLO CC(C)NC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000133378690 426174693 /nfs/dbraw/zinc/17/46/93/426174693.db2.gz YVUORLQOCAODIZ-UHFFFAOYSA-N 1 2 305.205 2.655 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOCC12CCC2 ZINC000093509745 426357046 /nfs/dbraw/zinc/35/70/46/426357046.db2.gz XGIXHXFAVRCGNO-UHFFFAOYSA-N 1 2 312.207 2.910 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCOCC12CCC2 ZINC000093509745 426357048 /nfs/dbraw/zinc/35/70/48/426357048.db2.gz XGIXHXFAVRCGNO-UHFFFAOYSA-N 1 2 312.207 2.910 20 10 DFCDLO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093899193 426360038 /nfs/dbraw/zinc/36/00/38/426360038.db2.gz JCPLHKXDHXWJAQ-QMMMGPOBSA-N 1 2 305.205 2.513 20 10 DFCDLO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093899193 426360042 /nfs/dbraw/zinc/36/00/42/426360042.db2.gz JCPLHKXDHXWJAQ-QMMMGPOBSA-N 1 2 305.205 2.513 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](C)[S@@]1=O ZINC000289667871 426670913 /nfs/dbraw/zinc/67/09/13/426670913.db2.gz NKKSHEGIRZHAAY-WLCUFGOBSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](C)[S@@]1=O ZINC000289667871 426670916 /nfs/dbraw/zinc/67/09/16/426670916.db2.gz NKKSHEGIRZHAAY-WLCUFGOBSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H](C)[S@@]1=O ZINC000289667866 426671175 /nfs/dbraw/zinc/67/11/75/426671175.db2.gz NKKSHEGIRZHAAY-DJHSXXLPSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H](C)[S@@]1=O ZINC000289667866 426671177 /nfs/dbraw/zinc/67/11/77/426671177.db2.gz NKKSHEGIRZHAAY-DJHSXXLPSA-N 1 2 301.839 2.777 20 10 DFCDLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000289810572 426676089 /nfs/dbraw/zinc/67/60/89/426676089.db2.gz NMSUSYYGHMERCX-LBPRGKRZSA-N 1 2 317.345 2.540 20 10 DFCDLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000289810572 426676094 /nfs/dbraw/zinc/67/60/94/426676094.db2.gz NMSUSYYGHMERCX-LBPRGKRZSA-N 1 2 317.345 2.540 20 10 DFCDLO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)c(F)c1O ZINC000187724399 426689335 /nfs/dbraw/zinc/68/93/35/426689335.db2.gz AMFZUYJFTGJZEB-GWNMQOMSSA-N 1 2 305.390 2.868 20 10 DFCDLO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000281632934 426734206 /nfs/dbraw/zinc/73/42/06/426734206.db2.gz OLEKTUZIMNVGCJ-BDAKNGLRSA-N 1 2 308.205 2.747 20 10 DFCDLO OCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000179575986 426802963 /nfs/dbraw/zinc/80/29/63/426802963.db2.gz PFBSOOLDWMEWGO-GFCCVEGCSA-N 1 2 320.216 2.672 20 10 DFCDLO OCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000179575986 426802967 /nfs/dbraw/zinc/80/29/67/426802967.db2.gz PFBSOOLDWMEWGO-GFCCVEGCSA-N 1 2 320.216 2.672 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cccc(Cl)c2O)no1 ZINC000290821398 426848270 /nfs/dbraw/zinc/84/82/70/426848270.db2.gz GVMFSSLWLZIOQZ-VIFPVBQESA-N 1 2 311.769 2.816 20 10 DFCDLO C[C@@H]1CN(c2ccc(C[NH2+]Cc3cocn3)cc2F)C[C@H](C)O1 ZINC000276964846 427129335 /nfs/dbraw/zinc/12/93/35/427129335.db2.gz FCXDWWKHGJKIBS-BETUJISGSA-N 1 2 319.380 2.717 20 10 DFCDLO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000276930236 427125937 /nfs/dbraw/zinc/12/59/37/427125937.db2.gz OAFMQUYHDHAOKI-VHSXEESVSA-N 1 2 314.332 2.552 20 10 DFCDLO C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(F)c(F)c1O ZINC000276863284 427125992 /nfs/dbraw/zinc/12/59/92/427125992.db2.gz CVZHCIJBZOFRPD-SECBINFHSA-N 1 2 312.291 2.934 20 10 DFCDLO CC(C)n1cnnc1C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293857077 427465558 /nfs/dbraw/zinc/46/55/58/427465558.db2.gz IBKDQYATPUDBCX-UHFFFAOYSA-N 1 2 312.776 2.989 20 10 DFCDLO CC(C)n1cnnc1C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000293857077 427465566 /nfs/dbraw/zinc/46/55/66/427465566.db2.gz IBKDQYATPUDBCX-UHFFFAOYSA-N 1 2 312.776 2.989 20 10 DFCDLO Cn1cc([C@@]2(C)C[N@@H+](Cc3c(O)cccc3Cl)CCO2)cn1 ZINC000271265112 427474066 /nfs/dbraw/zinc/47/40/66/427474066.db2.gz IBOZMNGHECILOY-MRXNPFEDSA-N 1 2 321.808 2.527 20 10 DFCDLO COC(=O)C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000271270138 427477665 /nfs/dbraw/zinc/47/76/65/427477665.db2.gz NANQLCXEUHIYRW-UHFFFAOYSA-N 1 2 302.418 2.814 20 10 DFCDLO COC(=O)C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000271270138 427477670 /nfs/dbraw/zinc/47/76/70/427477670.db2.gz NANQLCXEUHIYRW-UHFFFAOYSA-N 1 2 302.418 2.814 20 10 DFCDLO COc1c(O)c(C[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000278240856 427428039 /nfs/dbraw/zinc/42/80/39/427428039.db2.gz NXAGWMMSGKMAGV-UHFFFAOYSA-N 1 2 320.370 2.929 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000278240856 427428046 /nfs/dbraw/zinc/42/80/46/427428046.db2.gz NXAGWMMSGKMAGV-UHFFFAOYSA-N 1 2 320.370 2.929 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271743525 427583275 /nfs/dbraw/zinc/58/32/75/427583275.db2.gz RVAOXNHXNOCTCY-JQWIXIFHSA-N 1 2 309.715 2.933 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271743525 427583283 /nfs/dbraw/zinc/58/32/83/427583283.db2.gz RVAOXNHXNOCTCY-JQWIXIFHSA-N 1 2 309.715 2.933 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000271743527 427583683 /nfs/dbraw/zinc/58/36/83/427583683.db2.gz RVAOXNHXNOCTCY-ZYHUDNBSSA-N 1 2 309.715 2.933 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000271743527 427583692 /nfs/dbraw/zinc/58/36/92/427583692.db2.gz RVAOXNHXNOCTCY-ZYHUDNBSSA-N 1 2 309.715 2.933 20 10 DFCDLO Oc1ccc(F)cc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000294723763 427649614 /nfs/dbraw/zinc/64/96/14/427649614.db2.gz IIEBHXIJFQFYFY-UHFFFAOYSA-N 1 2 316.376 2.976 20 10 DFCDLO COc1cc(Cl)cc(C[NH+]2CCC(c3nc[nH]n3)CC2)c1O ZINC000359961128 428094616 /nfs/dbraw/zinc/09/46/16/428094616.db2.gz RAWNFTJLNSAUPC-UHFFFAOYSA-N 1 2 322.796 2.552 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3noc(C(C)C)n3)C2)c1 ZINC000374310560 428673937 /nfs/dbraw/zinc/67/39/37/428673937.db2.gz MYRWYQUJEJVDMB-HNNXBMFYSA-N 1 2 317.389 2.781 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3noc(C(C)C)n3)C2)c1 ZINC000374310560 428673944 /nfs/dbraw/zinc/67/39/44/428673944.db2.gz MYRWYQUJEJVDMB-HNNXBMFYSA-N 1 2 317.389 2.781 20 10 DFCDLO CN1CCc2cc(CNc3cc(N4CCCC4)nc[nH+]3)ccc21 ZINC000365451360 429320346 /nfs/dbraw/zinc/32/03/46/429320346.db2.gz OAIUMSYNHOQHMS-UHFFFAOYSA-N 1 2 309.417 2.681 20 10 DFCDLO CN1CCc2cc(CNc3cc(N4CCCC4)[nH+]cn3)ccc21 ZINC000365451360 429320351 /nfs/dbraw/zinc/32/03/51/429320351.db2.gz OAIUMSYNHOQHMS-UHFFFAOYSA-N 1 2 309.417 2.681 20 10 DFCDLO Cc1nc(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)n[nH]1 ZINC000365268532 429290381 /nfs/dbraw/zinc/29/03/81/429290381.db2.gz YQNIMWQJVZXMCK-UHFFFAOYSA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1nnc(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)[nH]1 ZINC000365268532 429290385 /nfs/dbraw/zinc/29/03/85/429290385.db2.gz YQNIMWQJVZXMCK-UHFFFAOYSA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(F)c1O ZINC000368118132 429792663 /nfs/dbraw/zinc/79/26/63/429792663.db2.gz HAXADETWYLLHHJ-MRXNPFEDSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(F)c1O ZINC000368118132 429792666 /nfs/dbraw/zinc/79/26/66/429792666.db2.gz HAXADETWYLLHHJ-MRXNPFEDSA-N 1 2 314.360 2.513 20 10 DFCDLO C[C@H]([NH2+]CC1CC(O)C1)c1cc(Br)cc(F)c1O ZINC000528018697 429837458 /nfs/dbraw/zinc/83/74/58/429837458.db2.gz OMGIRPTXADIGOQ-JEUQWKINSA-N 1 2 318.186 2.715 20 10 DFCDLO C[C@@H]([NH2+]CC1COC1)c1cc(Br)c(F)cc1O ZINC000528027604 429838940 /nfs/dbraw/zinc/83/89/40/429838940.db2.gz UVWMUSKSMPKLOB-SSDOTTSWSA-N 1 2 304.159 2.591 20 10 DFCDLO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000287861511 288049961 /nfs/dbraw/zinc/04/99/61/288049961.db2.gz XISXPLZYGRDAFS-MFKMUULPSA-N 1 2 317.838 2.521 20 10 DFCDLO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)[C@@H](O)C(F)(F)F ZINC000273452900 288061082 /nfs/dbraw/zinc/06/10/82/288061082.db2.gz GNHLVISKZDPCOM-VIRWGQHYSA-N 1 2 322.283 2.653 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CCOC[C@H]32)cc1F ZINC000366491952 279169853 /nfs/dbraw/zinc/16/98/53/279169853.db2.gz STIBOKXTPZUCAR-QZTJIDSGSA-N 1 2 322.424 2.662 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3CCOC[C@H]32)cc1F ZINC000366491952 279169855 /nfs/dbraw/zinc/16/98/55/279169855.db2.gz STIBOKXTPZUCAR-QZTJIDSGSA-N 1 2 322.424 2.662 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951662 300717204 /nfs/dbraw/zinc/71/72/04/300717204.db2.gz CNVDPHIZEGSYOR-UWJYBYFXSA-N 1 2 320.216 2.890 20 10 DFCDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)CC[S@]1=O ZINC000294772907 335127562 /nfs/dbraw/zinc/12/75/62/335127562.db2.gz TVABGDXYDXFDRZ-AYLIAGHASA-N 1 2 305.802 2.528 20 10 DFCDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[S@]1=O ZINC000294772907 335127563 /nfs/dbraw/zinc/12/75/63/335127563.db2.gz TVABGDXYDXFDRZ-AYLIAGHASA-N 1 2 305.802 2.528 20 10 DFCDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ncnn1C ZINC000276414306 334077405 /nfs/dbraw/zinc/07/74/05/334077405.db2.gz BREDAMZYNHEQHR-SSDOTTSWSA-N 1 2 301.177 2.678 20 10 DFCDLO COc1ccc([NH+]2CCC(Nc3ncc(F)cn3)CC2)cc1 ZINC000301791377 336330141 /nfs/dbraw/zinc/33/01/41/336330141.db2.gz RIVXPHLVKCLSGH-UHFFFAOYSA-N 1 2 302.353 2.705 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H](C)OC)CC2)cc1 ZINC000368850273 336853973 /nfs/dbraw/zinc/85/39/73/336853973.db2.gz IYBZPLNXXZPLBO-AWEZNQCLSA-N 1 2 320.433 2.547 20 10 DFCDLO CN(Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc2c(c1)OCO2 ZINC000121411267 336953605 /nfs/dbraw/zinc/95/36/05/336953605.db2.gz QUDTZLHLEPSDMQ-UHFFFAOYSA-N 1 2 308.341 2.632 20 10 DFCDLO c1cncc(C2=CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000375353260 337008840 /nfs/dbraw/zinc/00/88/40/337008840.db2.gz BGZHUYPYFJBYKK-UHFFFAOYSA-N 1 2 307.401 2.987 20 10 DFCDLO c1cncc(C2=CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000375353260 337008841 /nfs/dbraw/zinc/00/88/41/337008841.db2.gz BGZHUYPYFJBYKK-UHFFFAOYSA-N 1 2 307.401 2.987 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377690019 337058557 /nfs/dbraw/zinc/05/85/57/337058557.db2.gz FYMDMRXHLYIWQZ-HUUCEWRRSA-N 1 2 311.809 2.734 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377690019 337058556 /nfs/dbraw/zinc/05/85/56/337058556.db2.gz FYMDMRXHLYIWQZ-HUUCEWRRSA-N 1 2 311.809 2.734 20 10 DFCDLO CN1Cc2ccccc2[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1 ZINC000378266344 337069096 /nfs/dbraw/zinc/06/90/96/337069096.db2.gz ALOIZFULSPUJDO-MRXNPFEDSA-N 1 2 313.357 2.577 20 10 DFCDLO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191297698 337295536 /nfs/dbraw/zinc/29/55/36/337295536.db2.gz NCQLWIZWTUZGMK-LLVKDONJSA-N 1 2 310.760 2.709 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000191328107 337296065 /nfs/dbraw/zinc/29/60/65/337296065.db2.gz ZCLMZTOXSKUIMX-JTQLQIEISA-N 1 2 310.760 2.613 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000191328107 337296066 /nfs/dbraw/zinc/29/60/66/337296066.db2.gz ZCLMZTOXSKUIMX-JTQLQIEISA-N 1 2 310.760 2.613 20 10 DFCDLO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179940076 519896023 /nfs/dbraw/zinc/89/60/23/519896023.db2.gz MIZKEQKNMDHMNQ-ZDUSSCGKSA-N 1 2 310.825 2.784 20 10 DFCDLO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179940076 519896024 /nfs/dbraw/zinc/89/60/24/519896024.db2.gz MIZKEQKNMDHMNQ-ZDUSSCGKSA-N 1 2 310.825 2.784 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2ncc(Cl)n2C)c1 ZINC000181147573 521144085 /nfs/dbraw/zinc/14/40/85/521144085.db2.gz DFXJUNBRSQMVPW-UHFFFAOYSA-N 1 2 309.797 2.810 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2ncc(Cl)n2C)c1 ZINC000181147573 521144089 /nfs/dbraw/zinc/14/40/89/521144089.db2.gz DFXJUNBRSQMVPW-UHFFFAOYSA-N 1 2 309.797 2.810 20 10 DFCDLO CCOc1cccc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)c1O ZINC000365684225 521332386 /nfs/dbraw/zinc/33/23/86/521332386.db2.gz ZZZBXFJMHCPNHL-UHFFFAOYSA-N 1 2 317.360 2.633 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156337448 521689124 /nfs/dbraw/zinc/68/91/24/521689124.db2.gz HMEVSLKOLUQGOP-AWEZNQCLSA-N 1 2 313.401 2.590 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000132012705 523449862 /nfs/dbraw/zinc/44/98/62/523449862.db2.gz DBUROQUWNFPALN-GFCCVEGCSA-N 1 2 300.196 2.766 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000132012705 523449872 /nfs/dbraw/zinc/44/98/72/523449872.db2.gz DBUROQUWNFPALN-GFCCVEGCSA-N 1 2 300.196 2.766 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3C[C@H]3C)CC2)cc1 ZINC000363650474 524402812 /nfs/dbraw/zinc/40/28/12/524402812.db2.gz FSFAJAFCMGDWEZ-DYVFJYSZSA-N 1 2 302.418 2.778 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3C)CC2)cc1 ZINC000363650473 524404102 /nfs/dbraw/zinc/40/41/02/524404102.db2.gz FSFAJAFCMGDWEZ-CXAGYDPISA-N 1 2 302.418 2.778 20 10 DFCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)c3noc(C)n3)CC2)cc1 ZINC000367720490 524405016 /nfs/dbraw/zinc/40/50/16/524405016.db2.gz LZLGHJBBCNSRKY-CYBMUJFWSA-N 1 2 316.405 2.660 20 10 DFCDLO COc1ccc(N2CCC[N@H+]([C@H](C)c3noc(C)n3)CC2)cc1 ZINC000367720490 524405028 /nfs/dbraw/zinc/40/50/28/524405028.db2.gz LZLGHJBBCNSRKY-CYBMUJFWSA-N 1 2 316.405 2.660 20 10 DFCDLO Cc1csc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180035061 526424056 /nfs/dbraw/zinc/42/40/56/526424056.db2.gz CQZALPOQEJJBNT-AWEZNQCLSA-N 1 2 308.378 2.870 20 10 DFCDLO Cc1csc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180035061 526424061 /nfs/dbraw/zinc/42/40/61/526424061.db2.gz CQZALPOQEJJBNT-AWEZNQCLSA-N 1 2 308.378 2.870 20 10 DFCDLO CCc1noc([C@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000042651839 398599155 /nfs/dbraw/zinc/59/91/55/398599155.db2.gz XMNFBYYPKJNCKF-ZDUSSCGKSA-N 1 2 316.405 2.524 20 10 DFCDLO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(F)c(F)c1O ZINC000191208776 299287320 /nfs/dbraw/zinc/28/73/20/299287320.db2.gz UUIMMHAFWWPYLS-NSHDSACASA-N 1 2 312.360 2.724 20 10 DFCDLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000188496597 200255891 /nfs/dbraw/zinc/25/58/91/200255891.db2.gz JWHRHXZNKIHTGO-MRVPVSSYSA-N 1 2 305.205 2.655 20 10 DFCDLO C[C@@H]([NH2+]CCn1cncn1)c1ccc(Cl)c(Cl)c1O ZINC000273296500 296127176 /nfs/dbraw/zinc/12/71/76/296127176.db2.gz AEHKOUJMRWRNMT-MRVPVSSYSA-N 1 2 301.177 2.641 20 10 DFCDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1O ZINC000272250744 130013767 /nfs/dbraw/zinc/01/37/67/130013767.db2.gz IKQIKGFTOONVGX-UHFFFAOYSA-N 1 2 323.389 2.567 20 10 DFCDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1O ZINC000272250744 130013769 /nfs/dbraw/zinc/01/37/69/130013769.db2.gz IKQIKGFTOONVGX-UHFFFAOYSA-N 1 2 323.389 2.567 20 10 DFCDLO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273358182 130111296 /nfs/dbraw/zinc/11/12/96/130111296.db2.gz DFTYCOZALOKJDY-SJKOYZFVSA-N 1 2 316.357 2.993 20 10 DFCDLO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273398377 130117473 /nfs/dbraw/zinc/11/74/73/130117473.db2.gz MMXWGZQLQHDMSD-SJKOYZFVSA-N 1 2 316.357 2.993 20 10 DFCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273574671 130138417 /nfs/dbraw/zinc/13/84/17/130138417.db2.gz LNBUPYQKPUHSTP-MEBBXXQBSA-N 1 2 322.386 2.920 20 10 DFCDLO CCCCN(Cc1ccccc1O)C(=O)NCc1[nH+]ccn1C ZINC000283692419 131013351 /nfs/dbraw/zinc/01/33/51/131013351.db2.gz PFQWSJIWCHEZBW-UHFFFAOYSA-N 1 2 316.405 2.638 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000066686968 425905922 /nfs/dbraw/zinc/90/59/22/425905922.db2.gz JXNGGBIFKOUKET-AWEZNQCLSA-N 1 2 316.405 2.599 20 10 DFCDLO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)cc(Cl)c1O ZINC000133611910 426182696 /nfs/dbraw/zinc/18/26/96/426182696.db2.gz CVIQPDXWAMIKCA-UHFFFAOYSA-N 1 2 305.205 2.657 20 10 DFCDLO CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)cc(Cl)c1O ZINC000133611910 426182700 /nfs/dbraw/zinc/18/27/00/426182700.db2.gz CVIQPDXWAMIKCA-UHFFFAOYSA-N 1 2 305.205 2.657 20 10 DFCDLO CCN(C(C)=O)c1nc(C[N@H+](C)Cc2ccccc2O)cs1 ZINC000171937284 426219961 /nfs/dbraw/zinc/21/99/61/426219961.db2.gz AXHNMVPWSKVUDH-UHFFFAOYSA-N 1 2 319.430 2.854 20 10 DFCDLO CCN(C(C)=O)c1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000171937284 426219964 /nfs/dbraw/zinc/21/99/64/426219964.db2.gz AXHNMVPWSKVUDH-UHFFFAOYSA-N 1 2 319.430 2.854 20 10 DFCDLO CCS(=O)(=O)CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000118532538 426237623 /nfs/dbraw/zinc/23/76/23/426237623.db2.gz LLSUJTQIDYRSKI-UHFFFAOYSA-N 1 2 324.490 2.543 20 10 DFCDLO CCS(=O)(=O)CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000118532538 426237625 /nfs/dbraw/zinc/23/76/25/426237625.db2.gz LLSUJTQIDYRSKI-UHFFFAOYSA-N 1 2 324.490 2.543 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3csc(C)n3)CC2)cc1F ZINC000084866641 426246203 /nfs/dbraw/zinc/24/62/03/426246203.db2.gz RSUHHRYSQNJZIB-UHFFFAOYSA-N 1 2 321.421 2.921 20 10 DFCDLO NC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093808878 426357427 /nfs/dbraw/zinc/35/74/27/426357427.db2.gz HYJFZUVDFGAFRP-SECBINFHSA-N 1 2 317.216 2.786 20 10 DFCDLO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093808878 426357429 /nfs/dbraw/zinc/35/74/29/426357429.db2.gz HYJFZUVDFGAFRP-SECBINFHSA-N 1 2 317.216 2.786 20 10 DFCDLO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1O ZINC000186221788 426495339 /nfs/dbraw/zinc/49/53/39/426495339.db2.gz BYBPLHCDSJLICG-SSDOTTSWSA-N 1 2 305.205 2.861 20 10 DFCDLO Cc1cn[nH]c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000290436784 426764122 /nfs/dbraw/zinc/76/41/22/426764122.db2.gz NLCZWVNIDVESCC-HNNXBMFYSA-N 1 2 301.390 2.605 20 10 DFCDLO Cc1cn[nH]c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000290436784 426764127 /nfs/dbraw/zinc/76/41/27/426764127.db2.gz NLCZWVNIDVESCC-HNNXBMFYSA-N 1 2 301.390 2.605 20 10 DFCDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000281962965 426803466 /nfs/dbraw/zinc/80/34/66/426803466.db2.gz XVSQZDVTOIEVAZ-CYBMUJFWSA-N 1 2 315.373 2.682 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(OCC)ccc2O)no1 ZINC000290816911 426845032 /nfs/dbraw/zinc/84/50/32/426845032.db2.gz GOMZYYUWKYBGLC-LLVKDONJSA-N 1 2 321.377 2.561 20 10 DFCDLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000282547767 426917994 /nfs/dbraw/zinc/91/79/94/426917994.db2.gz CRHPHQUATDKASZ-CYBMUJFWSA-N 1 2 319.380 2.810 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)no1 ZINC000290930743 426868788 /nfs/dbraw/zinc/86/87/88/426868788.db2.gz OXRHRWVQFHVCRP-LBPRGKRZSA-N 1 2 304.394 2.523 20 10 DFCDLO COC(=O)C[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1 ZINC000268583562 427059312 /nfs/dbraw/zinc/05/93/12/427059312.db2.gz SKJASJWJLBWQLI-UHFFFAOYSA-N 1 2 323.364 2.652 20 10 DFCDLO COC(=O)C[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1 ZINC000268583562 427059316 /nfs/dbraw/zinc/05/93/16/427059316.db2.gz SKJASJWJLBWQLI-UHFFFAOYSA-N 1 2 323.364 2.652 20 10 DFCDLO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1O ZINC000276947753 427128188 /nfs/dbraw/zinc/12/81/88/427128188.db2.gz QIWNIGLRUCEGOO-MEBBXXQBSA-N 1 2 316.417 2.758 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183406681 427263542 /nfs/dbraw/zinc/26/35/42/427263542.db2.gz MQUPOIVNHBIPMQ-GFCCVEGCSA-N 1 2 306.797 2.549 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183406681 427263554 /nfs/dbraw/zinc/26/35/54/427263554.db2.gz MQUPOIVNHBIPMQ-GFCCVEGCSA-N 1 2 306.797 2.549 20 10 DFCDLO CC[C@H]([NH2+]CCCc1cnn(C)n1)c1cccc(Cl)c1O ZINC000293659899 427396995 /nfs/dbraw/zinc/39/69/95/427396995.db2.gz INGJIASCRNRJAD-AWEZNQCLSA-N 1 2 308.813 2.848 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000293733169 427415693 /nfs/dbraw/zinc/41/56/93/427415693.db2.gz WOIGGDOWJRPJLJ-UHFFFAOYSA-N 1 2 301.745 2.524 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000293733169 427415698 /nfs/dbraw/zinc/41/56/98/427415698.db2.gz WOIGGDOWJRPJLJ-UHFFFAOYSA-N 1 2 301.745 2.524 20 10 DFCDLO CCn1ncnc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000278299199 427428729 /nfs/dbraw/zinc/42/87/29/427428729.db2.gz AERJRLTUGHWOLA-UHFFFAOYSA-N 1 2 301.438 2.775 20 10 DFCDLO CCn1ncnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000278299199 427428739 /nfs/dbraw/zinc/42/87/39/427428739.db2.gz AERJRLTUGHWOLA-UHFFFAOYSA-N 1 2 301.438 2.775 20 10 DFCDLO CCCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c1 ZINC000271167809 427429156 /nfs/dbraw/zinc/42/91/56/427429156.db2.gz CXPCMLFBSNAMLX-BHVCSQLQSA-N 1 2 311.447 2.522 20 10 DFCDLO CCCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c1 ZINC000271167809 427429162 /nfs/dbraw/zinc/42/91/62/427429162.db2.gz CXPCMLFBSNAMLX-BHVCSQLQSA-N 1 2 311.447 2.522 20 10 DFCDLO COc1c(O)c(C[NH2+][C@@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278530471 427441336 /nfs/dbraw/zinc/44/13/36/427441336.db2.gz UYXZPCZQTLFMQW-VIFPVBQESA-N 1 2 323.374 2.925 20 10 DFCDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184676172 427515339 /nfs/dbraw/zinc/51/53/39/427515339.db2.gz WWPCBHXPOCWMDV-LBPRGKRZSA-N 1 2 313.781 2.582 20 10 DFCDLO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(Cl)c1O ZINC000287892060 427711280 /nfs/dbraw/zinc/71/12/80/427711280.db2.gz ZAOKJJJTKYDHER-SWLSCSKDSA-N 1 2 312.841 2.807 20 10 DFCDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(Cl)c1O ZINC000371422982 428389554 /nfs/dbraw/zinc/38/95/54/428389554.db2.gz HZIAMNJFVVDMAI-HONMWMINSA-N 1 2 308.809 2.664 20 10 DFCDLO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1O ZINC000371422982 428389558 /nfs/dbraw/zinc/38/95/58/428389558.db2.gz HZIAMNJFVVDMAI-HONMWMINSA-N 1 2 308.809 2.664 20 10 DFCDLO CC(C)c1nc([C@@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)no1 ZINC000371532985 428395550 /nfs/dbraw/zinc/39/55/50/428395550.db2.gz CNDFJDJIPHGVID-ZDUSSCGKSA-N 1 2 321.352 2.611 20 10 DFCDLO CC(C)c1nc([C@@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)no1 ZINC000371532985 428395557 /nfs/dbraw/zinc/39/55/57/428395557.db2.gz CNDFJDJIPHGVID-ZDUSSCGKSA-N 1 2 321.352 2.611 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1O ZINC000373710716 428638936 /nfs/dbraw/zinc/63/89/36/428638936.db2.gz ZZOOFWDDJNQLJS-CABCVRRESA-N 1 2 323.820 2.924 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1O ZINC000373710716 428638940 /nfs/dbraw/zinc/63/89/40/428638940.db2.gz ZZOOFWDDJNQLJS-CABCVRRESA-N 1 2 323.820 2.924 20 10 DFCDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1C ZINC000374129713 428666388 /nfs/dbraw/zinc/66/63/88/428666388.db2.gz DWWNGKIKSOSMFI-INIZCTEOSA-N 1 2 316.426 2.744 20 10 DFCDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2cccs2)cc1C ZINC000374129713 428666392 /nfs/dbraw/zinc/66/63/92/428666392.db2.gz DWWNGKIKSOSMFI-INIZCTEOSA-N 1 2 316.426 2.744 20 10 DFCDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000374306586 428675241 /nfs/dbraw/zinc/67/52/41/428675241.db2.gz FIMDGPPXXRYXBN-MRXNPFEDSA-N 1 2 316.788 2.630 20 10 DFCDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000374306586 428675244 /nfs/dbraw/zinc/67/52/44/428675244.db2.gz FIMDGPPXXRYXBN-MRXNPFEDSA-N 1 2 316.788 2.630 20 10 DFCDLO CC(C)OC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000365358326 429305739 /nfs/dbraw/zinc/30/57/39/429305739.db2.gz JWEWUYLDSBQRFP-LLVKDONJSA-N 1 2 317.788 2.811 20 10 DFCDLO CC(C)OC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000365358326 429305744 /nfs/dbraw/zinc/30/57/44/429305744.db2.gz JWEWUYLDSBQRFP-LLVKDONJSA-N 1 2 317.788 2.811 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(Cl)cc(Cl)c1O ZINC000530228277 430105944 /nfs/dbraw/zinc/10/59/44/430105944.db2.gz ZPDZRRZQYAQHLB-ZWNOBZJWSA-N 1 2 319.232 2.728 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000120825247 277105984 /nfs/dbraw/zinc/10/59/84/277105984.db2.gz SUZWHHNOPIFCNH-JKSUJKDBSA-N 1 2 307.365 2.877 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000120825247 277105985 /nfs/dbraw/zinc/10/59/85/277105985.db2.gz SUZWHHNOPIFCNH-JKSUJKDBSA-N 1 2 307.365 2.877 20 10 DFCDLO CC[C@H]([NH2+]C[C@]1(O)CCSC1)c1cccc(Cl)c1O ZINC000287868624 288050256 /nfs/dbraw/zinc/05/02/56/288050256.db2.gz XUGRVGADCDCHLO-GXTWGEPZSA-N 1 2 301.839 2.954 20 10 DFCDLO CNC(=O)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273569641 290384702 /nfs/dbraw/zinc/38/47/02/290384702.db2.gz KKXZFSBCCQIXAJ-MRVPVSSYSA-N 1 2 305.205 2.876 20 10 DFCDLO C[C@H]1C[NH+](Cc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000127034732 300269432 /nfs/dbraw/zinc/26/94/32/300269432.db2.gz BPNAYKHTOSATKU-UWVGGRQHSA-N 1 2 300.196 2.764 20 10 DFCDLO Cc1cn[nH]c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000290436789 301032598 /nfs/dbraw/zinc/03/25/98/301032598.db2.gz NLCZWVNIDVESCC-OAHLLOKOSA-N 1 2 301.390 2.605 20 10 DFCDLO Cc1cn[nH]c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000290436789 301032600 /nfs/dbraw/zinc/03/26/00/301032600.db2.gz NLCZWVNIDVESCC-OAHLLOKOSA-N 1 2 301.390 2.605 20 10 DFCDLO CC(C)C(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000020001527 333304251 /nfs/dbraw/zinc/30/42/51/333304251.db2.gz HJOXZCSTPBLXTN-UHFFFAOYSA-N 1 2 305.205 2.561 20 10 DFCDLO CC[C@@H]([NH2+]CC(F)(F)CO)c1cc(Br)ccc1O ZINC000186420690 335158091 /nfs/dbraw/zinc/15/80/91/335158091.db2.gz VOASMUNPHBUXOO-SNVBAGLBSA-N 1 2 324.165 2.823 20 10 DFCDLO Cc1cnc(N2CC[NH+](Cc3cccc(F)c3O)CC2)s1 ZINC000272334933 334033421 /nfs/dbraw/zinc/03/34/21/334033421.db2.gz XDXKXLONAOUADB-UHFFFAOYSA-N 1 2 307.394 2.618 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273409051 334046174 /nfs/dbraw/zinc/04/61/74/334046174.db2.gz PEZJMOJXSQGVHQ-QLJPJBMISA-N 1 2 320.320 2.824 20 10 DFCDLO O=S1(=O)C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)c2ccccc21 ZINC000370354576 336882936 /nfs/dbraw/zinc/88/29/36/336882936.db2.gz DZNGRPLKWCWCBF-CYBMUJFWSA-N 1 2 323.801 2.664 20 10 DFCDLO CCOc1cccc(CN2CCn3c(C)c(C)[nH+]c3C2)c1O ZINC000378351264 337070739 /nfs/dbraw/zinc/07/07/39/337070739.db2.gz SMQBCCWKEZZAAT-UHFFFAOYSA-N 1 2 301.390 2.620 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2noc(C)n2)c1 ZINC000378446193 337072940 /nfs/dbraw/zinc/07/29/40/337072940.db2.gz XYRTZBRDNMNCCT-AWEZNQCLSA-N 1 2 303.362 2.819 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2noc(C)n2)c1 ZINC000378446193 337072941 /nfs/dbraw/zinc/07/29/41/337072941.db2.gz XYRTZBRDNMNCCT-AWEZNQCLSA-N 1 2 303.362 2.819 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCCN(c2ccncn2)C1 ZINC000378461023 337073485 /nfs/dbraw/zinc/07/34/85/337073485.db2.gz XLFYFZSMNLRIEO-CYBMUJFWSA-N 1 2 318.808 2.594 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)c1O ZINC000188466810 337273574 /nfs/dbraw/zinc/27/35/74/337273574.db2.gz GIFRZKYMDSKQSQ-ZDUSSCGKSA-N 1 2 300.406 2.992 20 10 DFCDLO Cc1cccc(C[N@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)c1O ZINC000188466810 337273575 /nfs/dbraw/zinc/27/35/75/337273575.db2.gz GIFRZKYMDSKQSQ-ZDUSSCGKSA-N 1 2 300.406 2.992 20 10 DFCDLO CC(C)COC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000181484753 519750024 /nfs/dbraw/zinc/75/00/24/519750024.db2.gz ULIJNOJXSFWXPY-INIZCTEOSA-N 1 2 321.417 2.572 20 10 DFCDLO CC(C)COC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000181484753 519750026 /nfs/dbraw/zinc/75/00/26/519750026.db2.gz ULIJNOJXSFWXPY-INIZCTEOSA-N 1 2 321.417 2.572 20 10 DFCDLO CC[N@H+](Cc1ncc[nH]1)Cc1cc(Br)ccc1O ZINC000072876263 191247335 /nfs/dbraw/zinc/24/73/35/191247335.db2.gz NGSJYSTUIDVYCM-UHFFFAOYSA-N 1 2 310.195 2.900 20 10 DFCDLO CC[N@@H+](Cc1ncc[nH]1)Cc1cc(Br)ccc1O ZINC000072876263 191247338 /nfs/dbraw/zinc/24/73/38/191247338.db2.gz NGSJYSTUIDVYCM-UHFFFAOYSA-N 1 2 310.195 2.900 20 10 DFCDLO COC(=O)N1CC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)C1 ZINC000186137809 291181441 /nfs/dbraw/zinc/18/14/41/291181441.db2.gz IVKDOBVUGGPFPD-SSDOTTSWSA-N 1 2 319.188 2.800 20 10 DFCDLO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000273591121 296160628 /nfs/dbraw/zinc/16/06/28/296160628.db2.gz PGDOAMABCFMSBA-SFYZADRCSA-N 1 2 303.189 2.580 20 10 DFCDLO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000272571661 130042765 /nfs/dbraw/zinc/04/27/65/130042765.db2.gz OQUCBRABMGMNTH-ZDUSSCGKSA-N 1 2 306.318 2.761 20 10 DFCDLO COc1cc(Cl)cc(C[NH2+]C(C)(C)c2nc(C)no2)c1O ZINC000285280010 131153783 /nfs/dbraw/zinc/15/37/83/131153783.db2.gz UXOPGFUPACTCFX-UHFFFAOYSA-N 1 2 311.769 2.771 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1O ZINC000286930633 131256891 /nfs/dbraw/zinc/25/68/91/131256891.db2.gz NHXWIXLTIRJUGZ-HNNXBMFYSA-N 1 2 315.772 2.545 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](F)(CO)C2)c1O ZINC000286930633 131256892 /nfs/dbraw/zinc/25/68/92/131256892.db2.gz NHXWIXLTIRJUGZ-HNNXBMFYSA-N 1 2 315.772 2.545 20 10 DFCDLO C[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369553535 131270828 /nfs/dbraw/zinc/27/08/28/131270828.db2.gz VAHFSRGPQGFNBG-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369553535 131270830 /nfs/dbraw/zinc/27/08/30/131270830.db2.gz VAHFSRGPQGFNBG-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)cc(Cl)c1O ZINC000287752275 131298848 /nfs/dbraw/zinc/29/88/48/131298848.db2.gz QJMBOZVGZKRFSP-OCCSQVGLSA-N 1 2 320.216 2.891 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](C)[S@]1=O ZINC000289586380 131399397 /nfs/dbraw/zinc/39/93/97/131399397.db2.gz KFCQISRZVWWTDW-XCJKDKRRSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C)[S@]1=O ZINC000289586380 131399399 /nfs/dbraw/zinc/39/93/99/131399399.db2.gz KFCQISRZVWWTDW-XCJKDKRRSA-N 1 2 301.839 2.777 20 10 DFCDLO Cc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)n1-c1ccccn1 ZINC000299000043 132085067 /nfs/dbraw/zinc/08/50/67/132085067.db2.gz JSJXKYQOTYGLMP-CYBMUJFWSA-N 1 2 323.400 2.504 20 10 DFCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000292718224 543016250 /nfs/dbraw/zinc/01/62/50/543016250.db2.gz FPFZMEOEHQWLEQ-CYBMUJFWSA-N 1 2 318.421 2.783 20 10 DFCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000292718224 543016254 /nfs/dbraw/zinc/01/62/54/543016254.db2.gz FPFZMEOEHQWLEQ-CYBMUJFWSA-N 1 2 318.421 2.783 20 10 DFCDLO C[N@H+](Cc1cscn1)Cc1ccc(N2CCOCC2)cc1 ZINC000071124037 425981713 /nfs/dbraw/zinc/98/17/13/425981713.db2.gz VSBIZRGYYOONFX-UHFFFAOYSA-N 1 2 303.431 2.612 20 10 DFCDLO C[N@@H+](Cc1cscn1)Cc1ccc(N2CCOCC2)cc1 ZINC000071124037 425981715 /nfs/dbraw/zinc/98/17/15/425981715.db2.gz VSBIZRGYYOONFX-UHFFFAOYSA-N 1 2 303.431 2.612 20 10 DFCDLO Cc1cnn(CC[NH2+]Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000105908465 425968454 /nfs/dbraw/zinc/96/84/54/425968454.db2.gz RAZHVRHOOOWXQU-UHFFFAOYSA-N 1 2 300.189 2.994 20 10 DFCDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133038901 426171876 /nfs/dbraw/zinc/17/18/76/426171876.db2.gz YNGVTUZBCMHXQZ-GFCCVEGCSA-N 1 2 317.216 2.800 20 10 DFCDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133038901 426171877 /nfs/dbraw/zinc/17/18/77/426171877.db2.gz YNGVTUZBCMHXQZ-GFCCVEGCSA-N 1 2 317.216 2.800 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@]23CCOC3)cc1F ZINC000195014078 426497910 /nfs/dbraw/zinc/49/79/10/426497910.db2.gz DWYADHVGQCKMER-GOSISDBHSA-N 1 2 322.424 2.663 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCOC[C@]23CCOC3)cc1F ZINC000195014078 426497913 /nfs/dbraw/zinc/49/79/13/426497913.db2.gz DWYADHVGQCKMER-GOSISDBHSA-N 1 2 322.424 2.663 20 10 DFCDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](C)O2 ZINC000280529129 426592382 /nfs/dbraw/zinc/59/23/82/426592382.db2.gz RMAMAJFBAKYFOA-WQGACYEGSA-N 1 2 311.809 2.814 20 10 DFCDLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289923969 426677226 /nfs/dbraw/zinc/67/72/26/426677226.db2.gz VZLUDHOZNQIWMM-OAHLLOKOSA-N 1 2 304.369 2.920 20 10 DFCDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289923969 426677229 /nfs/dbraw/zinc/67/72/29/426677229.db2.gz VZLUDHOZNQIWMM-OAHLLOKOSA-N 1 2 304.369 2.920 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000187702548 426686030 /nfs/dbraw/zinc/68/60/30/426686030.db2.gz BEVBWLAYYAAIGV-AAEUAGOBSA-N 1 2 307.340 2.925 20 10 DFCDLO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179702530 426815441 /nfs/dbraw/zinc/81/54/41/426815441.db2.gz ZNYHXCHPVJJJAI-AWEZNQCLSA-N 1 2 322.836 2.784 20 10 DFCDLO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179702530 426815442 /nfs/dbraw/zinc/81/54/42/426815442.db2.gz ZNYHXCHPVJJJAI-AWEZNQCLSA-N 1 2 322.836 2.784 20 10 DFCDLO Cc1ccc(C)n1-c1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000290858056 426856190 /nfs/dbraw/zinc/85/61/90/426856190.db2.gz ABVLWXMJVAAROD-UHFFFAOYSA-N 1 2 320.396 2.947 20 10 DFCDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)no1 ZINC000290949152 426873283 /nfs/dbraw/zinc/87/32/83/426873283.db2.gz QLVBZLPGSJOSIF-GFCCVEGCSA-N 1 2 317.389 2.780 20 10 DFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000248832055 427047741 /nfs/dbraw/zinc/04/77/41/427047741.db2.gz LJURSMHPGBNUJG-JKOKRWQUSA-N 1 2 309.793 2.819 20 10 DFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000248832055 427047747 /nfs/dbraw/zinc/04/77/47/427047747.db2.gz LJURSMHPGBNUJG-JKOKRWQUSA-N 1 2 309.793 2.819 20 10 DFCDLO C[C@H]1CN(c2ccc(C[NH2+]Cc3cocn3)cc2F)C[C@H](C)O1 ZINC000276964850 427129165 /nfs/dbraw/zinc/12/91/65/427129165.db2.gz FCXDWWKHGJKIBS-STQMWFEESA-N 1 2 319.380 2.717 20 10 DFCDLO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CCC1 ZINC000277240563 427141736 /nfs/dbraw/zinc/14/17/36/427141736.db2.gz NBEGTSSBFSDAON-JTQLQIEISA-N 1 2 312.360 2.627 20 10 DFCDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293676520 427403409 /nfs/dbraw/zinc/40/34/09/427403409.db2.gz RATDFUGEFZGZRR-LBPRGKRZSA-N 1 2 310.760 2.709 20 10 DFCDLO CCCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000271167810 427428279 /nfs/dbraw/zinc/42/82/79/427428279.db2.gz CXPCMLFBSNAMLX-BYVOGVQKSA-N 1 2 311.447 2.522 20 10 DFCDLO CCCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000271167810 427428284 /nfs/dbraw/zinc/42/82/84/427428284.db2.gz CXPCMLFBSNAMLX-BYVOGVQKSA-N 1 2 311.447 2.522 20 10 DFCDLO Cn1ncc(Br)c1C[N@H+](C)Cc1ccccc1O ZINC000278454721 427438280 /nfs/dbraw/zinc/43/82/80/427438280.db2.gz NSUQXHIFXBBADT-UHFFFAOYSA-N 1 2 310.195 2.520 20 10 DFCDLO Cn1ncc(Br)c1C[N@@H+](C)Cc1ccccc1O ZINC000278454721 427438288 /nfs/dbraw/zinc/43/82/88/427438288.db2.gz NSUQXHIFXBBADT-UHFFFAOYSA-N 1 2 310.195 2.520 20 10 DFCDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184676150 427514958 /nfs/dbraw/zinc/51/49/58/427514958.db2.gz WWPCBHXPOCWMDV-GFCCVEGCSA-N 1 2 313.781 2.582 20 10 DFCDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1cc(OC)ccc1O ZINC000271745498 427583133 /nfs/dbraw/zinc/58/31/33/427583133.db2.gz ATRMPGXVXRXVQX-QGZVFWFLSA-N 1 2 315.369 2.747 20 10 DFCDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(OC)ccc1O ZINC000271745498 427583142 /nfs/dbraw/zinc/58/31/42/427583142.db2.gz ATRMPGXVXRXVQX-QGZVFWFLSA-N 1 2 315.369 2.747 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000271743526 427584918 /nfs/dbraw/zinc/58/49/18/427584918.db2.gz RVAOXNHXNOCTCY-PWSUYJOCSA-N 1 2 309.715 2.933 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000271743526 427584923 /nfs/dbraw/zinc/58/49/23/427584923.db2.gz RVAOXNHXNOCTCY-PWSUYJOCSA-N 1 2 309.715 2.933 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271903978 427591446 /nfs/dbraw/zinc/59/14/46/427591446.db2.gz ZXRLOBMQAXPAED-FDMGOTLNSA-N 1 2 301.839 2.695 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@](C)(F)C2)cc1 ZINC000295097860 427690371 /nfs/dbraw/zinc/69/03/71/427690371.db2.gz BKXBTJLJOLDPEX-SFHVURJKSA-N 1 2 321.440 2.535 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC000295097860 427690376 /nfs/dbraw/zinc/69/03/76/427690376.db2.gz BKXBTJLJOLDPEX-SFHVURJKSA-N 1 2 321.440 2.535 20 10 DFCDLO CC(C)c1nnc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)o1 ZINC000279632207 427715483 /nfs/dbraw/zinc/71/54/83/427715483.db2.gz IDMNXWAJPRZMEW-CQSZACIVSA-N 1 2 321.352 2.611 20 10 DFCDLO CC(C)c1nc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)no1 ZINC000371535595 428395120 /nfs/dbraw/zinc/39/51/20/428395120.db2.gz RLOIVDVLXUOOSU-CQSZACIVSA-N 1 2 321.352 2.611 20 10 DFCDLO CC(C)c1nc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)no1 ZINC000371535595 428395125 /nfs/dbraw/zinc/39/51/25/428395125.db2.gz RLOIVDVLXUOOSU-CQSZACIVSA-N 1 2 321.352 2.611 20 10 DFCDLO COc1ccc(N2CCC[N@H+](Cc3nnc(C)s3)CC2)cc1 ZINC000373143168 428518481 /nfs/dbraw/zinc/51/84/81/428518481.db2.gz WHGBUTSPGCHLPC-UHFFFAOYSA-N 1 2 318.446 2.567 20 10 DFCDLO COc1ccc(N2CCC[N@@H+](Cc3nnc(C)s3)CC2)cc1 ZINC000373143168 428518484 /nfs/dbraw/zinc/51/84/84/428518484.db2.gz WHGBUTSPGCHLPC-UHFFFAOYSA-N 1 2 318.446 2.567 20 10 DFCDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2cccs2)cc1C ZINC000374129714 428665349 /nfs/dbraw/zinc/66/53/49/428665349.db2.gz DWWNGKIKSOSMFI-MRXNPFEDSA-N 1 2 316.426 2.744 20 10 DFCDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2cccs2)cc1C ZINC000374129714 428665356 /nfs/dbraw/zinc/66/53/56/428665356.db2.gz DWWNGKIKSOSMFI-MRXNPFEDSA-N 1 2 316.426 2.744 20 10 DFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000374258099 428669347 /nfs/dbraw/zinc/66/93/47/428669347.db2.gz IJYBDKXNLRXWNT-CQSZACIVSA-N 1 2 321.808 2.959 20 10 DFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000374258099 428669350 /nfs/dbraw/zinc/66/93/50/428669350.db2.gz IJYBDKXNLRXWNT-CQSZACIVSA-N 1 2 321.808 2.959 20 10 DFCDLO Cn1cnc2c1CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000374424077 428680408 /nfs/dbraw/zinc/68/04/08/428680408.db2.gz YRSXWILMJIYWSO-UHFFFAOYSA-N 1 2 310.445 2.969 20 10 DFCDLO Cn1cnc2c1CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000374424077 428680414 /nfs/dbraw/zinc/68/04/14/428680414.db2.gz YRSXWILMJIYWSO-UHFFFAOYSA-N 1 2 310.445 2.969 20 10 DFCDLO Cn1c[nH+]c2c1CCN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC000374424077 428680419 /nfs/dbraw/zinc/68/04/19/428680419.db2.gz YRSXWILMJIYWSO-UHFFFAOYSA-N 1 2 310.445 2.969 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)c(F)c1O ZINC000364802452 429265150 /nfs/dbraw/zinc/26/51/50/429265150.db2.gz GABZZNCZAXMATN-XMZIXOGTSA-N 1 2 313.344 2.659 20 10 DFCDLO O=C(/C=C/c1cnccn1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000492084096 429463191 /nfs/dbraw/zinc/46/31/91/429463191.db2.gz ADCOIXRAGAWPAK-SNAWJCMRSA-N 1 2 323.331 2.585 20 10 DFCDLO COc1ccc(N2CCC([N@H+](C)Cc3csnn3)CC2)cc1 ZINC000367430247 429645841 /nfs/dbraw/zinc/64/58/41/429645841.db2.gz JVQZILDTVWKDJG-UHFFFAOYSA-N 1 2 318.446 2.648 20 10 DFCDLO COc1ccc(N2CCC([N@@H+](C)Cc3csnn3)CC2)cc1 ZINC000367430247 429645844 /nfs/dbraw/zinc/64/58/44/429645844.db2.gz JVQZILDTVWKDJG-UHFFFAOYSA-N 1 2 318.446 2.648 20 10 DFCDLO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287870364 288086480 /nfs/dbraw/zinc/08/64/80/288086480.db2.gz XWQBPYIPPKUCRX-CABZTGNLSA-N 1 2 317.216 2.970 20 10 DFCDLO COC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)[C@@H]1CCCO1 ZINC000278849630 293166361 /nfs/dbraw/zinc/16/63/61/293166361.db2.gz QHIHAWKUKDCGLG-ICCXJUOJSA-N 1 2 301.333 2.515 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951657 300717173 /nfs/dbraw/zinc/71/71/73/300717173.db2.gz CNVDPHIZEGSYOR-AXTRIDKLSA-N 1 2 320.216 2.890 20 10 DFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000294797341 335127485 /nfs/dbraw/zinc/12/74/85/335127485.db2.gz VSQSLXLPOUZNKF-GXSJLCMTSA-N 1 2 315.772 2.816 20 10 DFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000294797341 335127487 /nfs/dbraw/zinc/12/74/87/335127487.db2.gz VSQSLXLPOUZNKF-GXSJLCMTSA-N 1 2 315.772 2.816 20 10 DFCDLO CCOC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294800983 335127854 /nfs/dbraw/zinc/12/78/54/335127854.db2.gz DGUDACGHIAJFFK-UHFFFAOYSA-N 1 2 315.772 2.960 20 10 DFCDLO Cc1cc(N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)n[nH]1 ZINC000372812298 336940674 /nfs/dbraw/zinc/94/06/74/336940674.db2.gz AXFAJELNDNKAQT-UHFFFAOYSA-N 1 2 324.787 2.538 20 10 DFCDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc(F)c2O)cn1 ZINC000375462825 337011598 /nfs/dbraw/zinc/01/15/98/337011598.db2.gz UKFXLCFRJJMEFL-CQSZACIVSA-N 1 2 307.394 2.555 20 10 DFCDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc(F)c2O)cn1 ZINC000375462825 337011599 /nfs/dbraw/zinc/01/15/99/337011599.db2.gz UKFXLCFRJJMEFL-CQSZACIVSA-N 1 2 307.394 2.555 20 10 DFCDLO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000375847202 337021279 /nfs/dbraw/zinc/02/12/79/337021279.db2.gz LHRLDGJMSREXLQ-JKSUJKDBSA-N 1 2 304.434 2.850 20 10 DFCDLO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000375847202 337021280 /nfs/dbraw/zinc/02/12/80/337021280.db2.gz LHRLDGJMSREXLQ-JKSUJKDBSA-N 1 2 304.434 2.850 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)c1O ZINC000376660631 337039258 /nfs/dbraw/zinc/03/92/58/337039258.db2.gz ZEDAQQFPUPJHAK-WYRIXSBYSA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)c1O ZINC000376660631 337039259 /nfs/dbraw/zinc/03/92/59/337039259.db2.gz ZEDAQQFPUPJHAK-WYRIXSBYSA-N 1 2 301.839 2.697 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C3CCC3)CC2)cc1 ZINC000377490327 337053668 /nfs/dbraw/zinc/05/36/68/337053668.db2.gz XABNUINPTATHRJ-UHFFFAOYSA-N 1 2 302.418 2.923 20 10 DFCDLO CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2[nH+]ccn2C)c1O ZINC000378463611 337073500 /nfs/dbraw/zinc/07/35/00/337073500.db2.gz RHOGWYDWRMROBY-HNNXBMFYSA-N 1 2 317.364 2.805 20 10 DFCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1O ZINC000175619678 337148546 /nfs/dbraw/zinc/14/85/46/337148546.db2.gz ICHHBXPRTQMNBO-UHFFFAOYSA-N 1 2 317.364 2.837 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000365979319 521689169 /nfs/dbraw/zinc/68/91/69/521689169.db2.gz NDGSQDFDCNNKNB-CQSZACIVSA-N 1 2 313.401 2.974 20 10 DFCDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180401741 523308283 /nfs/dbraw/zinc/30/82/83/523308283.db2.gz NIEGPURCTVNMQN-LLVKDONJSA-N 1 2 315.822 2.526 20 10 DFCDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180401741 523308300 /nfs/dbraw/zinc/30/83/00/523308300.db2.gz NIEGPURCTVNMQN-LLVKDONJSA-N 1 2 315.822 2.526 20 10 DFCDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151616 523777130 /nfs/dbraw/zinc/77/71/30/523777130.db2.gz HQBLEJZSGYURIC-DGCLKSJQSA-N 1 2 323.780 2.699 20 10 DFCDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151616 523777134 /nfs/dbraw/zinc/77/71/34/523777134.db2.gz HQBLEJZSGYURIC-DGCLKSJQSA-N 1 2 323.780 2.699 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)c3nccc(C)n3)CC2)cc1 ZINC000364902264 524404088 /nfs/dbraw/zinc/40/40/88/524404088.db2.gz RCJMHOMSXRUHQY-UHFFFAOYSA-N 1 2 312.417 2.899 20 10 DFCDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1cccc(F)c1 ZINC000267152839 525434718 /nfs/dbraw/zinc/43/47/18/525434718.db2.gz CTBPVGWWBRFQCE-QFYYESIMSA-N 1 2 320.320 2.651 20 10 DFCDLO COc1cccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1O ZINC000237364148 526011283 /nfs/dbraw/zinc/01/12/83/526011283.db2.gz HFDADTMSSUNYND-UHFFFAOYSA-N 1 2 303.362 2.651 20 10 DFCDLO COc1cccc(CNc2cc(NCC3CC3)[nH+]cn2)c1O ZINC000091479271 398532576 /nfs/dbraw/zinc/53/25/76/398532576.db2.gz ASDPCEPREIWGSX-UHFFFAOYSA-N 1 2 300.362 2.625 20 10 DFCDLO COc1cccc(CNc2cc(NCC3CC3)nc[nH+]2)c1O ZINC000091479271 398532578 /nfs/dbraw/zinc/53/25/78/398532578.db2.gz ASDPCEPREIWGSX-UHFFFAOYSA-N 1 2 300.362 2.625 20 10 DFCDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000080238420 192015946 /nfs/dbraw/zinc/01/59/46/192015946.db2.gz PASBDOJIWOOBCS-CYBMUJFWSA-N 1 2 306.318 2.679 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)c(F)c1O ZINC000364802451 299393065 /nfs/dbraw/zinc/39/30/65/299393065.db2.gz GABZZNCZAXMATN-USBNGQNGSA-N 1 2 313.344 2.659 20 10 DFCDLO Cc1ccc([C@@H]2COCC[N@@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000093460049 193255438 /nfs/dbraw/zinc/25/54/38/193255438.db2.gz IGFNBDNMOBBWTD-ZDUSSCGKSA-N 1 2 317.341 2.596 20 10 DFCDLO Cc1ccc([C@@H]2COCC[N@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000093460049 193255439 /nfs/dbraw/zinc/25/54/39/193255439.db2.gz IGFNBDNMOBBWTD-ZDUSSCGKSA-N 1 2 317.341 2.596 20 10 DFCDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)C(=O)NC(C)(C)C ZINC000187675426 296158573 /nfs/dbraw/zinc/15/85/73/296158573.db2.gz WRAPQLVDRXNQCV-RKDXNWHRSA-N 1 2 300.349 2.624 20 10 DFCDLO COCc1noc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000272121175 130000336 /nfs/dbraw/zinc/00/03/36/130000336.db2.gz QGAGTWBRKFEHGS-UHFFFAOYSA-N 1 2 318.421 2.693 20 10 DFCDLO COCc1noc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000272121175 130000338 /nfs/dbraw/zinc/00/03/38/130000338.db2.gz QGAGTWBRKFEHGS-UHFFFAOYSA-N 1 2 318.421 2.693 20 10 DFCDLO O=C(c1cccs1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272250622 130013198 /nfs/dbraw/zinc/01/31/98/130013198.db2.gz IFPXHVPTHFXWKS-UHFFFAOYSA-N 1 2 320.389 2.551 20 10 DFCDLO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000272571659 130042061 /nfs/dbraw/zinc/04/20/61/130042061.db2.gz OQUCBRABMGMNTH-CYBMUJFWSA-N 1 2 306.318 2.761 20 10 DFCDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000285372863 131161806 /nfs/dbraw/zinc/16/18/06/131161806.db2.gz CCRBOXRFMFCRRD-UHFFFAOYSA-N 1 2 305.334 2.930 20 10 DFCDLO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc(Cl)c1O ZINC000287199781 286904643 /nfs/dbraw/zinc/90/46/43/286904643.db2.gz WGQKIMASWQYSDF-CWTRNNRKSA-N 1 2 301.839 2.997 20 10 DFCDLO C[N@H+](Cc1nccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000134962050 426202005 /nfs/dbraw/zinc/20/20/05/426202005.db2.gz BTQGZRYCQMTZLN-UHFFFAOYSA-N 1 2 303.431 2.612 20 10 DFCDLO C[N@@H+](Cc1nccs1)Cc1ccc(N2CCOCC2)cc1 ZINC000134962050 426202007 /nfs/dbraw/zinc/20/20/07/426202007.db2.gz BTQGZRYCQMTZLN-UHFFFAOYSA-N 1 2 303.431 2.612 20 10 DFCDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1C ZINC000129819310 426140307 /nfs/dbraw/zinc/14/03/07/426140307.db2.gz GMRQABWOGGZWLG-SFHVURJKSA-N 1 2 310.397 2.682 20 10 DFCDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)cc1C ZINC000129819310 426140309 /nfs/dbraw/zinc/14/03/09/426140309.db2.gz GMRQABWOGGZWLG-SFHVURJKSA-N 1 2 310.397 2.682 20 10 DFCDLO C[C@H]1OCC[N@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000093417626 426355649 /nfs/dbraw/zinc/35/56/49/426355649.db2.gz WWRNOWKQFJODBZ-NXEZZACHSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@H]1OCC[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1C ZINC000093417626 426355651 /nfs/dbraw/zinc/35/56/51/426355651.db2.gz WWRNOWKQFJODBZ-NXEZZACHSA-N 1 2 300.196 2.764 20 10 DFCDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000122682324 426388671 /nfs/dbraw/zinc/38/86/71/426388671.db2.gz UHZLODVQGYPKEE-LBPRGKRZSA-N 1 2 317.216 2.752 20 10 DFCDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000122682324 426388672 /nfs/dbraw/zinc/38/86/72/426388672.db2.gz UHZLODVQGYPKEE-LBPRGKRZSA-N 1 2 317.216 2.752 20 10 DFCDLO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)c(Cl)c1O ZINC000186505682 426540432 /nfs/dbraw/zinc/54/04/32/426540432.db2.gz UXCZRMJHVCKUHG-MRVPVSSYSA-N 1 2 317.216 2.876 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000187702566 426687749 /nfs/dbraw/zinc/68/77/49/426687749.db2.gz BEVBWLAYYAAIGV-YPMHNXCESA-N 1 2 307.340 2.925 20 10 DFCDLO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000281155480 426703389 /nfs/dbraw/zinc/70/33/89/426703389.db2.gz OUSHKFGIHONUFO-PWSUYJOCSA-N 1 2 312.360 2.580 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)no1 ZINC000290190604 426711947 /nfs/dbraw/zinc/71/19/47/426711947.db2.gz OGUZEMLFBMGPRU-WDEREUQCSA-N 1 2 321.377 2.732 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290607984 426805061 /nfs/dbraw/zinc/80/50/61/426805061.db2.gz WIZLULKLTSZGQL-UHFFFAOYSA-N 1 2 304.768 2.818 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000290607984 426805064 /nfs/dbraw/zinc/80/50/64/426805064.db2.gz WIZLULKLTSZGQL-UHFFFAOYSA-N 1 2 304.768 2.818 20 10 DFCDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179672063 426812151 /nfs/dbraw/zinc/81/21/51/426812151.db2.gz AJTFBXQPDDRFOB-UHFFFAOYSA-N 1 2 310.825 2.736 20 10 DFCDLO CC(C)C(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179796885 426819128 /nfs/dbraw/zinc/81/91/28/426819128.db2.gz DIIGNPOJPCIEGJ-UHFFFAOYSA-N 1 2 310.825 2.736 20 10 DFCDLO CC(C)C(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179796885 426819133 /nfs/dbraw/zinc/81/91/33/426819133.db2.gz DIIGNPOJPCIEGJ-UHFFFAOYSA-N 1 2 310.825 2.736 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)no1 ZINC000290930741 426868238 /nfs/dbraw/zinc/86/82/38/426868238.db2.gz OXRHRWVQFHVCRP-GFCCVEGCSA-N 1 2 304.394 2.523 20 10 DFCDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)no1 ZINC000290949155 426873381 /nfs/dbraw/zinc/87/33/81/426873381.db2.gz QLVBZLPGSJOSIF-LBPRGKRZSA-N 1 2 317.389 2.780 20 10 DFCDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)s1 ZINC000268249462 426964205 /nfs/dbraw/zinc/96/42/05/426964205.db2.gz ZHKVBBNYEBNRHG-UHFFFAOYSA-N 1 2 322.390 2.739 20 10 DFCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(C)s3)CC2)cc1 ZINC000283332267 426994873 /nfs/dbraw/zinc/99/48/73/426994873.db2.gz AHISNKYXJWHUGE-LBPRGKRZSA-N 1 2 318.446 2.738 20 10 DFCDLO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1O ZINC000276947758 427130152 /nfs/dbraw/zinc/13/01/52/427130152.db2.gz QIWNIGLRUCEGOO-ZUZCIYMTSA-N 1 2 316.417 2.758 20 10 DFCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)c(F)c1O ZINC000276933605 427126597 /nfs/dbraw/zinc/12/65/97/427126597.db2.gz ONRFZJVGVMVZAJ-JTQLQIEISA-N 1 2 307.344 2.982 20 10 DFCDLO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000276873441 427127718 /nfs/dbraw/zinc/12/77/18/427127718.db2.gz FCFSIJAHBKTUIJ-AAEUAGOBSA-N 1 2 307.340 2.925 20 10 DFCDLO C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000285531771 427261997 /nfs/dbraw/zinc/26/19/97/427261997.db2.gz PFFJKFBZJGPVMM-LDYMZIIASA-N 1 2 302.237 2.996 20 10 DFCDLO CCOC1CC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000277695359 427289233 /nfs/dbraw/zinc/28/92/33/427289233.db2.gz KVKCROBUXGGPNI-UHFFFAOYSA-N 1 2 320.216 2.719 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1O ZINC000278706778 427450319 /nfs/dbraw/zinc/45/03/19/427450319.db2.gz UCCJNGRLVAIRSV-OAHLLOKOSA-N 1 2 303.337 2.794 20 10 DFCDLO COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000271887752 427591691 /nfs/dbraw/zinc/59/16/91/427591691.db2.gz WKLRUQQAHSIRJO-LBPRGKRZSA-N 1 2 309.793 2.821 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271903979 427593071 /nfs/dbraw/zinc/59/30/71/427593071.db2.gz ZXRLOBMQAXPAED-QQKBFRNYSA-N 1 2 301.839 2.695 20 10 DFCDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(F)c1O ZINC000272211432 427673739 /nfs/dbraw/zinc/67/37/39/427673739.db2.gz AMFKKQZGAJVWMZ-MRXNPFEDSA-N 1 2 315.344 2.631 20 10 DFCDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1O ZINC000272211432 427673747 /nfs/dbraw/zinc/67/37/47/427673747.db2.gz AMFKKQZGAJVWMZ-MRXNPFEDSA-N 1 2 315.344 2.631 20 10 DFCDLO Cc1nnc([C@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)o1 ZINC000369680327 428034584 /nfs/dbraw/zinc/03/45/84/428034584.db2.gz FCPWOTPYHKXFJM-CYBMUJFWSA-N 1 2 323.780 2.619 20 10 DFCDLO Cc1nnc([C@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)o1 ZINC000369680327 428034591 /nfs/dbraw/zinc/03/45/91/428034591.db2.gz FCPWOTPYHKXFJM-CYBMUJFWSA-N 1 2 323.780 2.619 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000372118005 428415248 /nfs/dbraw/zinc/41/52/48/428415248.db2.gz ZMZYFQYUZFPVOL-HNNXBMFYSA-N 1 2 313.825 2.980 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000372118005 428415253 /nfs/dbraw/zinc/41/52/53/428415253.db2.gz ZMZYFQYUZFPVOL-HNNXBMFYSA-N 1 2 313.825 2.980 20 10 DFCDLO Cc1cccc(C[N@@H+](C)[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000362048071 428612042 /nfs/dbraw/zinc/61/20/42/428612042.db2.gz UYSOLQUMKHOUIY-HNNXBMFYSA-N 1 2 317.410 2.661 20 10 DFCDLO Cc1cccc(C[N@H+](C)[C@H]2CS(=O)(=O)c3ccccc32)c1O ZINC000362048071 428612049 /nfs/dbraw/zinc/61/20/49/428612049.db2.gz UYSOLQUMKHOUIY-HNNXBMFYSA-N 1 2 317.410 2.661 20 10 DFCDLO O=C([C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1)N1CCCC1 ZINC000373889597 428654029 /nfs/dbraw/zinc/65/40/29/428654029.db2.gz ICZQOUNEBLBKEK-OCCSQVGLSA-N 1 2 322.836 2.926 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000374423386 428679015 /nfs/dbraw/zinc/67/90/15/428679015.db2.gz RYQWWKJTAJGARJ-CQSZACIVSA-N 1 2 303.362 2.819 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000374423386 428679018 /nfs/dbraw/zinc/67/90/18/428679018.db2.gz RYQWWKJTAJGARJ-CQSZACIVSA-N 1 2 303.362 2.819 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364496248 429213594 /nfs/dbraw/zinc/21/35/94/429213594.db2.gz RVOUGTVHVJNJSK-AWEZNQCLSA-N 1 2 312.207 2.766 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364496248 429213598 /nfs/dbraw/zinc/21/35/98/429213598.db2.gz RVOUGTVHVJNJSK-AWEZNQCLSA-N 1 2 312.207 2.766 20 10 DFCDLO COc1ccc([NH+]2CCC(Nc3cn(C)nc3C)CC2)cc1 ZINC000364495082 429214178 /nfs/dbraw/zinc/21/41/78/429214178.db2.gz ZVKVJMMKXMRCEE-UHFFFAOYSA-N 1 2 300.406 2.818 20 10 DFCDLO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc(Cl)c(Cl)c1O ZINC000530227006 430105870 /nfs/dbraw/zinc/10/58/70/430105870.db2.gz QNMVJSCLBAPBHC-JOYOIKCWSA-N 1 2 319.232 2.728 20 10 DFCDLO CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1cccc(Cl)c1O ZINC000290504886 288042092 /nfs/dbraw/zinc/04/20/92/288042092.db2.gz YIPLDXPWPLVSRJ-ZDUSSCGKSA-N 1 2 319.854 2.910 20 10 DFCDLO CC[C@H]([NH2+][C@H](CO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287102663 288085284 /nfs/dbraw/zinc/08/52/84/288085284.db2.gz QDOMVXBBFSRXDM-SKDRFNHKSA-N 1 2 308.205 2.747 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc(F)c(F)c1O ZINC000187805126 290018569 /nfs/dbraw/zinc/01/85/69/290018569.db2.gz YXVXKXFHJOETJR-NWDGAFQWSA-N 1 2 319.355 2.995 20 10 DFCDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000271482513 334023730 /nfs/dbraw/zinc/02/37/30/334023730.db2.gz XZZPOWSSUYJQPW-CQSZACIVSA-N 1 2 319.430 2.733 20 10 DFCDLO Cc1nnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000271482513 334023732 /nfs/dbraw/zinc/02/37/32/334023732.db2.gz XZZPOWSSUYJQPW-CQSZACIVSA-N 1 2 319.430 2.733 20 10 DFCDLO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273409824 334046453 /nfs/dbraw/zinc/04/64/53/334046453.db2.gz PMTUYZBVROOVCJ-BZNIZROVSA-N 1 2 302.330 2.685 20 10 DFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000273459307 334046801 /nfs/dbraw/zinc/04/68/01/334046801.db2.gz HUTPZSIGKQQJCY-HZMBPMFUSA-N 1 2 315.373 2.630 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000375075508 337002728 /nfs/dbraw/zinc/00/27/28/337002728.db2.gz SWRVBGDFSNIROX-UHFFFAOYSA-N 1 2 307.752 2.888 20 10 DFCDLO CN(C)c1ccc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000375397100 337010380 /nfs/dbraw/zinc/01/03/80/337010380.db2.gz ZUALEFBXRGOOGO-QGZVFWFLSA-N 1 2 307.401 2.750 20 10 DFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000375682054 337016439 /nfs/dbraw/zinc/01/64/39/337016439.db2.gz BVPHMLPSCXCLPI-INIZCTEOSA-N 1 2 324.428 2.746 20 10 DFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000375682054 337016440 /nfs/dbraw/zinc/01/64/40/337016440.db2.gz BVPHMLPSCXCLPI-INIZCTEOSA-N 1 2 324.428 2.746 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCOc3c(F)cccc3C1)OCO2 ZINC000378187005 337068073 /nfs/dbraw/zinc/06/80/73/337068073.db2.gz YGAWTEUAKORLSV-UHFFFAOYSA-N 1 2 317.316 2.655 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCOc3c(F)cccc3C1)OCO2 ZINC000378187005 337068074 /nfs/dbraw/zinc/06/80/74/337068074.db2.gz YGAWTEUAKORLSV-UHFFFAOYSA-N 1 2 317.316 2.655 20 10 DFCDLO Cn1cc([C@@]2(C)C[N@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000378441829 337072695 /nfs/dbraw/zinc/07/26/95/337072695.db2.gz IJJBQZUBEVOPDF-MRXNPFEDSA-N 1 2 321.808 2.527 20 10 DFCDLO Cn1cc([C@@]2(C)C[N@@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000378441829 337072696 /nfs/dbraw/zinc/07/26/96/337072696.db2.gz IJJBQZUBEVOPDF-MRXNPFEDSA-N 1 2 321.808 2.527 20 10 DFCDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000190146118 337285211 /nfs/dbraw/zinc/28/52/11/337285211.db2.gz ONWNNEPQVKQBPW-STQMWFEESA-N 1 2 323.780 2.699 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000249890927 518287968 /nfs/dbraw/zinc/28/79/68/518287968.db2.gz SUZWHHNOPIFCNH-HZPDHXFCSA-N 1 2 307.365 2.877 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000249890927 518287975 /nfs/dbraw/zinc/28/79/75/518287975.db2.gz SUZWHHNOPIFCNH-HZPDHXFCSA-N 1 2 307.365 2.877 20 10 DFCDLO CCCOCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000363632055 520227997 /nfs/dbraw/zinc/22/79/97/520227997.db2.gz WNHHJBNVSLGHHS-UHFFFAOYSA-N 1 2 320.433 2.549 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000267075397 526325861 /nfs/dbraw/zinc/32/58/61/526325861.db2.gz RMFGHZDENVEOQY-GFCCVEGCSA-N 1 2 308.230 2.657 20 10 DFCDLO Cc1nsc(N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000180449054 526712382 /nfs/dbraw/zinc/71/23/82/526712382.db2.gz BPEBSECNUNTPCQ-UHFFFAOYSA-N 1 2 324.837 2.528 20 10 DFCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000365162820 526983962 /nfs/dbraw/zinc/98/39/62/526983962.db2.gz VVWDJGBYCSTAIX-JSGCOSHPSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000365162820 526983967 /nfs/dbraw/zinc/98/39/67/526983967.db2.gz VVWDJGBYCSTAIX-JSGCOSHPSA-N 1 2 309.793 2.616 20 10 DFCDLO CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000287125996 535908792 /nfs/dbraw/zinc/90/87/92/535908792.db2.gz RJWQLHIVAJCORZ-ZOWXZIJZSA-N 1 2 313.825 2.731 20 10 DFCDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831531 185344499 /nfs/dbraw/zinc/34/44/99/185344499.db2.gz TVMGHZJHYUITLD-CQSZACIVSA-N 1 2 320.414 2.821 20 10 DFCDLO CCOc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831531 185344500 /nfs/dbraw/zinc/34/45/00/185344500.db2.gz TVMGHZJHYUITLD-CQSZACIVSA-N 1 2 320.414 2.821 20 10 DFCDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(F)c(F)c1O ZINC000282770425 299325519 /nfs/dbraw/zinc/32/55/19/299325519.db2.gz OVROWZJXHRTIKM-VIFPVBQESA-N 1 2 310.348 2.868 20 10 DFCDLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)NCCF ZINC000282878933 299345210 /nfs/dbraw/zinc/34/52/10/299345210.db2.gz VOVPCIYSKSVPMH-YUMQZZPRSA-N 1 2 323.195 2.824 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3cncs3)CC2)cc1F ZINC000091923129 193127144 /nfs/dbraw/zinc/12/71/44/193127144.db2.gz FZISZBYXPFNGTC-UHFFFAOYSA-N 1 2 307.394 2.613 20 10 DFCDLO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(F)c(F)c1O ZINC000290207510 299428316 /nfs/dbraw/zinc/42/83/16/299428316.db2.gz HCEJAWIRVHYIJB-UOWOHEGISA-N 1 2 321.323 2.816 20 10 DFCDLO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273542888 130133413 /nfs/dbraw/zinc/13/34/13/130133413.db2.gz YQEGVRFCYZQLCV-MEBBXXQBSA-N 1 2 320.320 2.824 20 10 DFCDLO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273562197 130136294 /nfs/dbraw/zinc/13/62/94/130136294.db2.gz IIFRTAGTGBPALH-SECBINFHSA-N 1 2 304.350 2.502 20 10 DFCDLO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1cccc(Cl)c1O ZINC000287096276 131263731 /nfs/dbraw/zinc/26/37/31/131263731.db2.gz PTKTZEAXJWVAST-BXKDBHETSA-N 1 2 302.777 2.561 20 10 DFCDLO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc(Cl)c1O ZINC000287823204 131301801 /nfs/dbraw/zinc/30/18/01/131301801.db2.gz VICCQTWFFFQDHR-ZIAGYGMSSA-N 1 2 309.797 2.553 20 10 DFCDLO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000273565980 292261539 /nfs/dbraw/zinc/26/15/39/292261539.db2.gz JMLODEMJUQWJEE-IINYFYTJSA-N 1 2 306.318 2.586 20 10 DFCDLO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000036933190 425846740 /nfs/dbraw/zinc/84/67/40/425846740.db2.gz WLFRVBGGRHAFHN-SNVBAGLBSA-N 1 2 319.232 2.509 20 10 DFCDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000132892982 426170922 /nfs/dbraw/zinc/17/09/22/426170922.db2.gz NNNZTAZUMIVIHZ-UHFFFAOYSA-N 1 2 305.205 2.642 20 10 DFCDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000132892982 426170923 /nfs/dbraw/zinc/17/09/23/426170923.db2.gz NNNZTAZUMIVIHZ-UHFFFAOYSA-N 1 2 305.205 2.642 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000132769398 426171288 /nfs/dbraw/zinc/17/12/88/426171288.db2.gz LKTRRJPJIPJKPK-GXTWGEPZSA-N 1 2 312.207 2.908 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000132769398 426171291 /nfs/dbraw/zinc/17/12/91/426171291.db2.gz LKTRRJPJIPJKPK-GXTWGEPZSA-N 1 2 312.207 2.908 20 10 DFCDLO COc1c(O)c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000280456466 426580208 /nfs/dbraw/zinc/58/02/08/426580208.db2.gz LUSJXNWCEXEIAM-CYBMUJFWSA-N 1 2 324.377 2.556 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000280456466 426580210 /nfs/dbraw/zinc/58/02/10/426580210.db2.gz LUSJXNWCEXEIAM-CYBMUJFWSA-N 1 2 324.377 2.556 20 10 DFCDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCSC1 ZINC000226403491 426619925 /nfs/dbraw/zinc/61/99/25/426619925.db2.gz AUXFNLKTRBPFIK-SECBINFHSA-N 1 2 302.237 2.997 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)no1 ZINC000290190602 426712774 /nfs/dbraw/zinc/71/27/74/426712774.db2.gz OGUZEMLFBMGPRU-QWRGUYRKSA-N 1 2 321.377 2.732 20 10 DFCDLO Cc1ccc(O)c(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1 ZINC000290905414 426864975 /nfs/dbraw/zinc/86/49/75/426864975.db2.gz MMHAEILUSIGJHW-LBPRGKRZSA-N 1 2 305.378 2.859 20 10 DFCDLO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276998800 427130975 /nfs/dbraw/zinc/13/09/75/427130975.db2.gz YYILJOWRIXNYBI-OIKLOGQESA-N 1 2 312.360 2.768 20 10 DFCDLO C[C@H]([NH2+]Cc1nncn1C)c1cc(Cl)c(Cl)cc1O ZINC000278153694 427419217 /nfs/dbraw/zinc/41/92/17/427419217.db2.gz AKJANLDKGYQMTD-ZETCQYMHSA-N 1 2 301.177 2.678 20 10 DFCDLO COc1c(O)c(C[N@H+](C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000278277072 427426622 /nfs/dbraw/zinc/42/66/22/427426622.db2.gz SJXGWRPXDQIRDH-UHFFFAOYSA-N 1 2 306.318 2.842 20 10 DFCDLO COc1c(O)c(C[N@@H+](C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000278277072 427426631 /nfs/dbraw/zinc/42/66/31/427426631.db2.gz SJXGWRPXDQIRDH-UHFFFAOYSA-N 1 2 306.318 2.842 20 10 DFCDLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271555396 427579335 /nfs/dbraw/zinc/57/93/35/427579335.db2.gz WOVHMTULYLCJMV-GFCCVEGCSA-N 1 2 318.396 2.545 20 10 DFCDLO CC(C)c1nnc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)o1 ZINC000279632204 427716492 /nfs/dbraw/zinc/71/64/92/427716492.db2.gz IDMNXWAJPRZMEW-AWEZNQCLSA-N 1 2 321.352 2.611 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000371472999 428392891 /nfs/dbraw/zinc/39/28/91/428392891.db2.gz JQWNLPLBFFYERO-CJNGLKHVSA-N 1 2 324.852 2.588 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000371472999 428392895 /nfs/dbraw/zinc/39/28/95/428392895.db2.gz JQWNLPLBFFYERO-CJNGLKHVSA-N 1 2 324.852 2.588 20 10 DFCDLO Oc1cccc([C@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000371561242 428397749 /nfs/dbraw/zinc/39/77/49/428397749.db2.gz QVWMGRAMYPXGHL-MRXNPFEDSA-N 1 2 303.333 2.810 20 10 DFCDLO Oc1cccc([C@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000371561242 428397753 /nfs/dbraw/zinc/39/77/53/428397753.db2.gz QVWMGRAMYPXGHL-MRXNPFEDSA-N 1 2 303.333 2.810 20 10 DFCDLO CC(C)OC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000372115795 428414212 /nfs/dbraw/zinc/41/42/12/428414212.db2.gz GFMNXXOKXLPUGL-OAHLLOKOSA-N 1 2 310.413 2.518 20 10 DFCDLO CC(C)OC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000372115795 428414218 /nfs/dbraw/zinc/41/42/18/428414218.db2.gz GFMNXXOKXLPUGL-OAHLLOKOSA-N 1 2 310.413 2.518 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2F)c1 ZINC000371801250 428404277 /nfs/dbraw/zinc/40/42/77/428404277.db2.gz FQAWQDSFTUNKMR-QGZVFWFLSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2F)c1 ZINC000371801250 428404283 /nfs/dbraw/zinc/40/42/83/428404283.db2.gz FQAWQDSFTUNKMR-QGZVFWFLSA-N 1 2 314.360 2.513 20 10 DFCDLO COc1cc(Cl)cc(CN2CCn3cc(C)[nH+]c3C2)c1O ZINC000372943586 428509043 /nfs/dbraw/zinc/50/90/43/428509043.db2.gz GZRMJDVURLJECF-UHFFFAOYSA-N 1 2 307.781 2.575 20 10 DFCDLO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217873 428523734 /nfs/dbraw/zinc/52/37/34/428523734.db2.gz SJSIXSOXMCJBGE-TZMCWYRMSA-N 1 2 308.809 2.536 20 10 DFCDLO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217873 428523740 /nfs/dbraw/zinc/52/37/40/428523740.db2.gz SJSIXSOXMCJBGE-TZMCWYRMSA-N 1 2 308.809 2.536 20 10 DFCDLO CCOc1ncnc2c1C[N@H+](Cc1cccc(Cl)c1O)CC2 ZINC000362045255 428612946 /nfs/dbraw/zinc/61/29/46/428612946.db2.gz LNYOOQDEPJEYES-UHFFFAOYSA-N 1 2 319.792 2.793 20 10 DFCDLO CCOc1ncnc2c1C[N@@H+](Cc1cccc(Cl)c1O)CC2 ZINC000362045255 428612956 /nfs/dbraw/zinc/61/29/56/428612956.db2.gz LNYOOQDEPJEYES-UHFFFAOYSA-N 1 2 319.792 2.793 20 10 DFCDLO CN(C)c1noc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000374556290 428698397 /nfs/dbraw/zinc/69/83/97/428698397.db2.gz KVNGNNDWVYNJKP-OAHLLOKOSA-N 1 2 315.421 2.539 20 10 DFCDLO CN(C)c1noc([C@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000374556290 428698400 /nfs/dbraw/zinc/69/84/00/428698400.db2.gz KVNGNNDWVYNJKP-OAHLLOKOSA-N 1 2 315.421 2.539 20 10 DFCDLO CCN(CC)c1ccc(CN2CCc3c([nH+]cn3C)C2)cc1F ZINC000374420560 428679990 /nfs/dbraw/zinc/67/99/90/428679990.db2.gz LUOYJQZSZKVWOQ-UHFFFAOYSA-N 1 2 316.424 2.964 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000364506763 429216020 /nfs/dbraw/zinc/21/60/20/429216020.db2.gz RQMMSWQEDMSNPT-SECBINFHSA-N 1 2 310.760 2.682 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000364506763 429216025 /nfs/dbraw/zinc/21/60/25/429216025.db2.gz RQMMSWQEDMSNPT-SECBINFHSA-N 1 2 310.760 2.682 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000368050195 429774548 /nfs/dbraw/zinc/77/45/48/429774548.db2.gz DGXWBXTWNDZQID-OAHLLOKOSA-N 1 2 315.772 2.566 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000368050195 429774550 /nfs/dbraw/zinc/77/45/50/429774550.db2.gz DGXWBXTWNDZQID-OAHLLOKOSA-N 1 2 315.772 2.566 20 10 DFCDLO CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc(Cl)c1O ZINC000287892219 288046642 /nfs/dbraw/zinc/04/66/42/288046642.db2.gz ZBEAKAZVLMJTSN-ZFWWWQNUSA-N 1 2 301.814 2.874 20 10 DFCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1OC ZINC000179937844 295004201 /nfs/dbraw/zinc/00/42/01/295004201.db2.gz DTZGXLGTLFHMHU-CYBMUJFWSA-N 1 2 317.389 2.860 20 10 DFCDLO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1OC ZINC000179937844 295004203 /nfs/dbraw/zinc/00/42/03/295004203.db2.gz DTZGXLGTLFHMHU-CYBMUJFWSA-N 1 2 317.389 2.860 20 10 DFCDLO Cc1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc[nH+]1 ZINC000119777193 332378023 /nfs/dbraw/zinc/37/80/23/332378023.db2.gz XOEJQODYBOKQBU-UHFFFAOYSA-N 1 2 302.353 2.917 20 10 DFCDLO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293926063 335115641 /nfs/dbraw/zinc/11/56/41/335115641.db2.gz MZKDOKQMNHJKIB-CYBMUJFWSA-N 1 2 319.735 2.518 20 10 DFCDLO COc1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000294694711 335125457 /nfs/dbraw/zinc/12/54/57/335125457.db2.gz CPKLPGOABCPRQP-OAHLLOKOSA-N 1 2 301.390 2.717 20 10 DFCDLO COc1cccc(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c1O ZINC000294694711 335125459 /nfs/dbraw/zinc/12/54/59/335125459.db2.gz CPKLPGOABCPRQP-OAHLLOKOSA-N 1 2 301.390 2.717 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)c3nc(C)ns3)CC2)cc1 ZINC000364061284 333229605 /nfs/dbraw/zinc/22/96/05/333229605.db2.gz ZFTHUJRDQAWQOR-UHFFFAOYSA-N 1 2 318.446 2.960 20 10 DFCDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000185205521 333368866 /nfs/dbraw/zinc/36/88/66/333368866.db2.gz QWMPPDCKQYDQEA-GFCCVEGCSA-N 1 2 315.797 2.732 20 10 DFCDLO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000272441960 334034626 /nfs/dbraw/zinc/03/46/26/334034626.db2.gz OQJWZXQHULRHKM-CYBMUJFWSA-N 1 2 316.380 2.906 20 10 DFCDLO Oc1c(F)cccc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000272441960 334034627 /nfs/dbraw/zinc/03/46/27/334034627.db2.gz OQJWZXQHULRHKM-CYBMUJFWSA-N 1 2 316.380 2.906 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273409049 334046336 /nfs/dbraw/zinc/04/63/36/334046336.db2.gz PEZJMOJXSQGVHQ-QFYYESIMSA-N 1 2 320.320 2.824 20 10 DFCDLO CCN(CC)c1ccc(CNC(=O)CCc2[nH]cc[nH+]2)cc1F ZINC000279523071 334109482 /nfs/dbraw/zinc/10/94/82/334109482.db2.gz VHNLZEDSZRVBSM-UHFFFAOYSA-N 1 2 318.396 2.644 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)Cc2cn3ccccc3[nH+]2)cc1 ZINC000298117647 334246608 /nfs/dbraw/zinc/24/66/08/334246608.db2.gz ZIJJFPOPJAKBPP-UHFFFAOYSA-N 1 2 322.412 2.601 20 10 DFCDLO Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C2 ZINC000375580616 337013868 /nfs/dbraw/zinc/01/38/68/337013868.db2.gz ZLJQSZVBPOGHHU-MNOVXSKESA-N 1 2 307.344 2.841 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000378339399 337070265 /nfs/dbraw/zinc/07/02/65/337070265.db2.gz DVLOPPOZMOYJQK-HNNXBMFYSA-N 1 2 303.358 2.957 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2ccco2)c1 ZINC000378339399 337070266 /nfs/dbraw/zinc/07/02/66/337070266.db2.gz DVLOPPOZMOYJQK-HNNXBMFYSA-N 1 2 303.358 2.957 20 10 DFCDLO O=S1(=O)C[C@@H]([NH2+]Cc2cccc(Cl)c2O)c2ccccc21 ZINC000378452283 337073046 /nfs/dbraw/zinc/07/30/46/337073046.db2.gz LHHIRMWVWHZTDR-CYBMUJFWSA-N 1 2 323.801 2.664 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000191436123 337296978 /nfs/dbraw/zinc/29/69/78/337296978.db2.gz KXVUNMLXQPFEPT-AAEUAGOBSA-N 1 2 317.813 2.891 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000191436123 337296979 /nfs/dbraw/zinc/29/69/79/337296979.db2.gz KXVUNMLXQPFEPT-AAEUAGOBSA-N 1 2 317.813 2.891 20 10 DFCDLO COc1ccc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000529661607 340766994 /nfs/dbraw/zinc/76/69/94/340766994.db2.gz KVYOYYPLURCHRQ-UHFFFAOYSA-N 1 2 310.756 2.921 20 10 DFCDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151577 524021915 /nfs/dbraw/zinc/02/19/15/524021915.db2.gz HQBLEJZSGYURIC-WCQYABFASA-N 1 2 323.780 2.699 20 10 DFCDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151577 524021918 /nfs/dbraw/zinc/02/19/18/524021918.db2.gz HQBLEJZSGYURIC-WCQYABFASA-N 1 2 323.780 2.699 20 10 DFCDLO Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000365144995 526416762 /nfs/dbraw/zinc/41/67/62/526416762.db2.gz HOGMGNWLQPZSCY-NSHDSACASA-N 1 2 310.760 2.709 20 10 DFCDLO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cccc(Cl)c1O ZINC000287125991 535909022 /nfs/dbraw/zinc/90/90/22/535909022.db2.gz RJWQLHIVAJCORZ-JMSVASOKSA-N 1 2 313.825 2.731 20 10 DFCDLO COc1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1O ZINC000091479255 398532490 /nfs/dbraw/zinc/53/24/90/398532490.db2.gz FQGCYVNHUIHQND-UHFFFAOYSA-N 1 2 314.389 2.793 20 10 DFCDLO COc1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1O ZINC000091479255 398532497 /nfs/dbraw/zinc/53/24/97/398532497.db2.gz FQGCYVNHUIHQND-UHFFFAOYSA-N 1 2 314.389 2.793 20 10 DFCDLO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(Cl)c(Cl)c1O ZINC000278820020 299323158 /nfs/dbraw/zinc/32/31/58/299323158.db2.gz OEABVULTWUFAOI-UINNMSKDSA-N 1 2 320.216 2.890 20 10 DFCDLO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000289645713 296136098 /nfs/dbraw/zinc/13/60/98/296136098.db2.gz GACCQEJVHRJMEZ-LLVKDONJSA-N 1 2 316.361 2.612 20 10 DFCDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(F)c(F)c1O ZINC000282770422 296136254 /nfs/dbraw/zinc/13/62/54/296136254.db2.gz OVROWZJXHRTIKM-SECBINFHSA-N 1 2 310.348 2.868 20 10 DFCDLO Cc1ccc([C@H]2COCC[N@@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000093460050 193255294 /nfs/dbraw/zinc/25/52/94/193255294.db2.gz IGFNBDNMOBBWTD-CYBMUJFWSA-N 1 2 317.341 2.596 20 10 DFCDLO Cc1ccc([C@H]2COCC[N@H+]2Cc2cc3c(cc2O)OCO3)o1 ZINC000093460050 193255296 /nfs/dbraw/zinc/25/52/96/193255296.db2.gz IGFNBDNMOBBWTD-CYBMUJFWSA-N 1 2 317.341 2.596 20 10 DFCDLO CC1(C)CN=C(N2CC[NH+](Cc3cccc(F)c3O)CC2)S1 ZINC000272300460 130017673 /nfs/dbraw/zinc/01/76/73/130017673.db2.gz PRLADYBZUXCFLP-UHFFFAOYSA-N 1 2 323.437 2.530 20 10 DFCDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000272688857 130053843 /nfs/dbraw/zinc/05/38/43/130053843.db2.gz WRULEDSVMJAHPK-INIZCTEOSA-N 1 2 301.361 2.975 20 10 DFCDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000272688857 130053844 /nfs/dbraw/zinc/05/38/44/130053844.db2.gz WRULEDSVMJAHPK-INIZCTEOSA-N 1 2 301.361 2.975 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000273444026 130121941 /nfs/dbraw/zinc/12/19/41/130121941.db2.gz ZJVGEWBDXYELDY-MGPLVRAMSA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273587901 130140741 /nfs/dbraw/zinc/14/07/41/130140741.db2.gz OHKUGYPWOSWLFQ-LKFCYVNXSA-N 1 2 308.359 2.746 20 10 DFCDLO COc1cc(Cl)cc(C[NH2+]C(C)(C)c2noc(C)n2)c1O ZINC000273791353 130167662 /nfs/dbraw/zinc/16/76/62/130167662.db2.gz VGANMJFMYBCIGJ-UHFFFAOYSA-N 1 2 311.769 2.771 20 10 DFCDLO CCc1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000274645038 130252206 /nfs/dbraw/zinc/25/22/06/130252206.db2.gz LWLYXYTVTCHZIW-UHFFFAOYSA-N 1 2 301.438 2.844 20 10 DFCDLO CCc1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)[nH]1 ZINC000274645038 130252208 /nfs/dbraw/zinc/25/22/08/130252208.db2.gz LWLYXYTVTCHZIW-UHFFFAOYSA-N 1 2 301.438 2.844 20 10 DFCDLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1cc(Cl)cc(Cl)c1O ZINC000291883474 286918783 /nfs/dbraw/zinc/91/87/83/286918783.db2.gz JSMGAHJCMHWUDB-WRWORJQWSA-N 1 2 305.205 2.874 20 10 DFCDLO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc([N+](=O)[O-])ccc1O ZINC000273348172 287041205 /nfs/dbraw/zinc/04/12/05/287041205.db2.gz BFMQZAGIXAEVNU-LLVKDONJSA-N 1 2 316.361 2.612 20 10 DFCDLO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000185503007 287066290 /nfs/dbraw/zinc/06/62/90/287066290.db2.gz SYEDITFVZJQZHG-BDAKNGLRSA-N 1 2 317.216 2.970 20 10 DFCDLO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000125502389 425975521 /nfs/dbraw/zinc/97/55/21/425975521.db2.gz QFERIEDXAWSNAK-ASCAZGACSA-N 1 2 310.246 2.946 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000175638010 426319678 /nfs/dbraw/zinc/31/96/78/426319678.db2.gz BDVINNVJYRBNTO-MRXNPFEDSA-N 1 2 317.364 2.805 20 10 DFCDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000121293831 426333206 /nfs/dbraw/zinc/33/32/06/426333206.db2.gz HKUBLEDTPZZXGY-UHFFFAOYSA-N 1 2 313.279 2.811 20 10 DFCDLO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000152475371 426344317 /nfs/dbraw/zinc/34/43/17/426344317.db2.gz FKBCLIYUNDVMAZ-CPCISQLKSA-N 1 2 310.246 2.901 20 10 DFCDLO CCC[NH+](CCC)c1ccc(CN2CCn3cnnc3C2)cc1 ZINC000121882430 426355505 /nfs/dbraw/zinc/35/55/05/426355505.db2.gz JTIVTVRUPBKGKT-UHFFFAOYSA-N 1 2 313.449 2.920 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000093639862 426358225 /nfs/dbraw/zinc/35/82/25/426358225.db2.gz RKFLJGCNTZWSHF-UHFFFAOYSA-N 1 2 312.207 2.910 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000093639862 426358226 /nfs/dbraw/zinc/35/82/26/426358226.db2.gz RKFLJGCNTZWSHF-UHFFFAOYSA-N 1 2 312.207 2.910 20 10 DFCDLO CCCOc1ccc(C[NH2+]C(C)(C)c2noc(C)n2)c(O)c1 ZINC000264361659 426541940 /nfs/dbraw/zinc/54/19/40/426541940.db2.gz GHHSUULOMXYFDW-UHFFFAOYSA-N 1 2 305.378 2.897 20 10 DFCDLO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000280099303 426502499 /nfs/dbraw/zinc/50/24/99/426502499.db2.gz MZFSTDPRTFSYKK-OLZOCXBDSA-N 1 2 308.422 2.560 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)no1 ZINC000290157446 426705288 /nfs/dbraw/zinc/70/52/88/426705288.db2.gz LSCOQYIAMACXNT-NXEZZACHSA-N 1 2 309.341 2.863 20 10 DFCDLO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000281155486 426701725 /nfs/dbraw/zinc/70/17/25/426701725.db2.gz OUSHKFGIHONUFO-ZYHUDNBSSA-N 1 2 312.360 2.580 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)no1 ZINC000290280667 426732415 /nfs/dbraw/zinc/73/24/15/426732415.db2.gz XDEHCMPCZPOACT-NXEZZACHSA-N 1 2 309.341 2.863 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1O ZINC000275538428 426867821 /nfs/dbraw/zinc/86/78/21/426867821.db2.gz YHMMDPXMCVUPTR-AWEZNQCLSA-N 1 2 311.809 2.841 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1O ZINC000275538428 426867825 /nfs/dbraw/zinc/86/78/25/426867825.db2.gz YHMMDPXMCVUPTR-AWEZNQCLSA-N 1 2 311.809 2.841 20 10 DFCDLO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(F)c(F)c1O ZINC000283190777 426971956 /nfs/dbraw/zinc/97/19/56/426971956.db2.gz KOQJJJJRBMXSHL-SKDRFNHKSA-N 1 2 310.344 2.522 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000292005487 427053240 /nfs/dbraw/zinc/05/32/40/427053240.db2.gz XOMPYLBJPHBUIZ-AWEZNQCLSA-N 1 2 319.792 2.892 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000292005487 427053245 /nfs/dbraw/zinc/05/32/45/427053245.db2.gz XOMPYLBJPHBUIZ-AWEZNQCLSA-N 1 2 319.792 2.892 20 10 DFCDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(F)c1O ZINC000249080999 427085364 /nfs/dbraw/zinc/08/53/64/427085364.db2.gz LPWMDAPDUCVRMK-FVLGBLRTSA-N 1 2 305.324 2.979 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183406651 427263061 /nfs/dbraw/zinc/26/30/61/427263061.db2.gz MQUPOIVNHBIPMQ-LBPRGKRZSA-N 1 2 306.797 2.549 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183406651 427263069 /nfs/dbraw/zinc/26/30/69/427263069.db2.gz MQUPOIVNHBIPMQ-LBPRGKRZSA-N 1 2 306.797 2.549 20 10 DFCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(OCC)ccc1O)C1CC1 ZINC000191713799 427409783 /nfs/dbraw/zinc/40/97/83/427409783.db2.gz QQXRWJHIAFGXRB-GFCCVEGCSA-N 1 2 307.390 2.707 20 10 DFCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(OCC)ccc1O)C1CC1 ZINC000191713799 427409790 /nfs/dbraw/zinc/40/97/90/427409790.db2.gz QQXRWJHIAFGXRB-GFCCVEGCSA-N 1 2 307.390 2.707 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000271218410 427456601 /nfs/dbraw/zinc/45/66/01/427456601.db2.gz YCRMMFXTRFYQHZ-GXZWQRSESA-N 1 2 308.491 2.874 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000271218410 427456610 /nfs/dbraw/zinc/45/66/10/427456610.db2.gz YCRMMFXTRFYQHZ-GXZWQRSESA-N 1 2 308.491 2.874 20 10 DFCDLO CCCOc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1 ZINC000271167813 427426283 /nfs/dbraw/zinc/42/62/83/427426283.db2.gz CXPCMLFBSNAMLX-ZNLKAECVSA-N 1 2 311.447 2.522 20 10 DFCDLO CCCOc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1 ZINC000271167813 427426288 /nfs/dbraw/zinc/42/62/88/427426288.db2.gz CXPCMLFBSNAMLX-ZNLKAECVSA-N 1 2 311.447 2.522 20 10 DFCDLO COc1c(O)c(C[N@H+](C)Cc2ccoc2C)ccc1[N+](=O)[O-] ZINC000278307241 427427789 /nfs/dbraw/zinc/42/77/89/427427789.db2.gz WKFBUXLJRFPOAT-UHFFFAOYSA-N 1 2 306.318 2.842 20 10 DFCDLO COc1c(O)c(C[N@@H+](C)Cc2ccoc2C)ccc1[N+](=O)[O-] ZINC000278307241 427427799 /nfs/dbraw/zinc/42/77/99/427427799.db2.gz WKFBUXLJRFPOAT-UHFFFAOYSA-N 1 2 306.318 2.842 20 10 DFCDLO CCCOc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c1 ZINC000271167811 427428793 /nfs/dbraw/zinc/42/87/93/427428793.db2.gz CXPCMLFBSNAMLX-QRQYBIJMSA-N 1 2 311.447 2.522 20 10 DFCDLO CCCOc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c1 ZINC000271167811 427428799 /nfs/dbraw/zinc/42/87/99/427428799.db2.gz CXPCMLFBSNAMLX-QRQYBIJMSA-N 1 2 311.447 2.522 20 10 DFCDLO COc1c(O)c(C[N@H+](C)[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278502960 427443228 /nfs/dbraw/zinc/44/32/28/427443228.db2.gz OGRBPAVIIZLCKE-NSHDSACASA-N 1 2 317.345 2.897 20 10 DFCDLO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278502960 427443237 /nfs/dbraw/zinc/44/32/37/427443237.db2.gz OGRBPAVIIZLCKE-NSHDSACASA-N 1 2 317.345 2.897 20 10 DFCDLO C[N@H+](Cc1ncnn1CC(F)F)Cc1cccc(Cl)c1O ZINC000279056069 427545623 /nfs/dbraw/zinc/54/56/23/427545623.db2.gz PSQUSMCHWHVHDF-UHFFFAOYSA-N 1 2 316.739 2.534 20 10 DFCDLO C[N@@H+](Cc1ncnn1CC(F)F)Cc1cccc(Cl)c1O ZINC000279056069 427545628 /nfs/dbraw/zinc/54/56/28/427545628.db2.gz PSQUSMCHWHVHDF-UHFFFAOYSA-N 1 2 316.739 2.534 20 10 DFCDLO CCN(CC)c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1F ZINC000294923700 427665766 /nfs/dbraw/zinc/66/57/66/427665766.db2.gz YWQNTPFHQFSJSA-UHFFFAOYSA-N 1 2 317.412 2.957 20 10 DFCDLO Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)[nH+]1 ZINC000193962155 427725456 /nfs/dbraw/zinc/72/54/56/427725456.db2.gz NHKOYTIHGGFVMO-LLVKDONJSA-N 1 2 315.373 2.862 20 10 DFCDLO CCC(=O)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000365256817 429289596 /nfs/dbraw/zinc/28/95/96/429289596.db2.gz OXQXYKJHBDIAGI-UHFFFAOYSA-N 1 2 314.788 2.629 20 10 DFCDLO CCC(=O)N1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000365256817 429289601 /nfs/dbraw/zinc/28/96/01/429289601.db2.gz OXQXYKJHBDIAGI-UHFFFAOYSA-N 1 2 314.788 2.629 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cc(Br)ccc21 ZINC000492862924 429632598 /nfs/dbraw/zinc/63/25/98/429632598.db2.gz LONKHBJSKOSYAT-RQOWECAXSA-N 1 2 318.174 2.775 20 10 DFCDLO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1cccc(Cl)c1O ZINC000287834143 288041070 /nfs/dbraw/zinc/04/10/70/288041070.db2.gz VUWMOGKFVUGWLY-LBPRGKRZSA-N 1 2 305.827 2.521 20 10 DFCDLO CC[C@H]([NH2+]CCOCCO)c1cc(Cl)cc(Cl)c1O ZINC000287103511 288042124 /nfs/dbraw/zinc/04/21/24/288042124.db2.gz WZDXFEVEZAJLHY-LBPRGKRZSA-N 1 2 308.205 2.749 20 10 DFCDLO CC[C@H]([NH2+]C[C@H](O)COC)c1cc(Cl)cc(Cl)c1O ZINC000287648556 288048013 /nfs/dbraw/zinc/04/80/13/288048013.db2.gz LFAYHNYSMFJJFA-CABZTGNLSA-N 1 2 308.205 2.747 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951664 300717083 /nfs/dbraw/zinc/71/70/83/300717083.db2.gz CNVDPHIZEGSYOR-XXILOJSOSA-N 1 2 320.216 2.890 20 10 DFCDLO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000070976853 301271752 /nfs/dbraw/zinc/27/17/52/301271752.db2.gz CMKAKTOAGADHLC-MRXNPFEDSA-N 1 2 302.374 2.870 20 10 DFCDLO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000070976853 301271756 /nfs/dbraw/zinc/27/17/56/301271756.db2.gz CMKAKTOAGADHLC-MRXNPFEDSA-N 1 2 302.374 2.870 20 10 DFCDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187793433 302678356 /nfs/dbraw/zinc/67/83/56/302678356.db2.gz YMSUKBNMISHMGR-QPUJVOFHSA-N 1 2 308.332 2.756 20 10 DFCDLO Cc1cc(NC(=O)N2CC=C(c3ccc(N(C)C)cc3)C2)cc[nH+]1 ZINC000363686720 332221632 /nfs/dbraw/zinc/22/16/32/332221632.db2.gz GTXFEAJJUVEIJF-UHFFFAOYSA-N 1 2 322.412 2.809 20 10 DFCDLO COc1ccncc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000293981546 335116581 /nfs/dbraw/zinc/11/65/81/335116581.db2.gz BJUGPNJHIYOQPF-JTQLQIEISA-N 1 2 303.318 2.555 20 10 DFCDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000185205502 333368928 /nfs/dbraw/zinc/36/89/28/333368928.db2.gz QWMPPDCKQYDQEA-LBPRGKRZSA-N 1 2 315.797 2.732 20 10 DFCDLO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273409044 334046243 /nfs/dbraw/zinc/04/62/43/334046243.db2.gz PEZJMOJXSQGVHQ-HWPZZCPQSA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273409831 334046328 /nfs/dbraw/zinc/04/63/28/334046328.db2.gz PMTUYZBVROOVCJ-ZBEGNZNMSA-N 1 2 302.330 2.685 20 10 DFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000273459309 334047033 /nfs/dbraw/zinc/04/70/33/334047033.db2.gz HUTPZSIGKQQJCY-IINYFYTJSA-N 1 2 315.373 2.630 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1O ZINC000277667307 334089792 /nfs/dbraw/zinc/08/97/92/334089792.db2.gz PLMJENDVJXATOE-NSPYISDASA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c1O ZINC000277667307 334089794 /nfs/dbraw/zinc/08/97/94/334089794.db2.gz PLMJENDVJXATOE-NSPYISDASA-N 1 2 301.839 2.697 20 10 DFCDLO C[N@@H+]1CCc2ncnc(N3CCc4ccc(Cl)cc43)c2C1 ZINC000299653195 334256921 /nfs/dbraw/zinc/25/69/21/334256921.db2.gz YNQOZABQHPLYAO-UHFFFAOYSA-N 1 2 300.793 2.812 20 10 DFCDLO C[N@H+]1CCc2ncnc(N3CCc4ccc(Cl)cc43)c2C1 ZINC000299653195 334256923 /nfs/dbraw/zinc/25/69/23/334256923.db2.gz YNQOZABQHPLYAO-UHFFFAOYSA-N 1 2 300.793 2.812 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000346955273 335453234 /nfs/dbraw/zinc/45/32/34/335453234.db2.gz RYTDXDJVWNSVFJ-UHFFFAOYSA-N 1 2 308.385 2.934 20 10 DFCDLO COc1ccc([NH+]2CCC(Nc3nccc(OC)n3)CC2)cc1 ZINC000301186572 336293999 /nfs/dbraw/zinc/29/39/99/336293999.db2.gz POZKEKBTRQIPNJ-UHFFFAOYSA-N 1 2 314.389 2.575 20 10 DFCDLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCc2ccccc21 ZINC000305782109 337037174 /nfs/dbraw/zinc/03/71/74/337037174.db2.gz PHKMGKISILKGNR-KRWDZBQOSA-N 1 2 303.789 2.969 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@](=O)CC[C@H]2C)c1O ZINC000376660629 337039206 /nfs/dbraw/zinc/03/92/06/337039206.db2.gz ZEDAQQFPUPJHAK-NSPYISDASA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)c1O ZINC000376660629 337039207 /nfs/dbraw/zinc/03/92/07/337039207.db2.gz ZEDAQQFPUPJHAK-NSPYISDASA-N 1 2 301.839 2.697 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000378439314 337072686 /nfs/dbraw/zinc/07/26/86/337072686.db2.gz OMJWJPYGTSGQIC-UHFFFAOYSA-N 1 2 318.808 2.548 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000378439314 337072687 /nfs/dbraw/zinc/07/26/87/337072687.db2.gz OMJWJPYGTSGQIC-UHFFFAOYSA-N 1 2 318.808 2.548 20 10 DFCDLO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000360091348 337085238 /nfs/dbraw/zinc/08/52/38/337085238.db2.gz CBNQKUJJXMAADI-CQSZACIVSA-N 1 2 316.361 2.684 20 10 DFCDLO Oc1cccc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)c1 ZINC000180165085 337175141 /nfs/dbraw/zinc/17/51/41/337175141.db2.gz RMSJJDDOMVJCOY-KRWDZBQOSA-N 1 2 303.333 2.810 20 10 DFCDLO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(C)c(O)c1O ZINC000182125047 337186648 /nfs/dbraw/zinc/18/66/48/337186648.db2.gz VVQMOVWLRVBWNX-UHFFFAOYSA-N 1 2 324.340 2.548 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000188479245 337273762 /nfs/dbraw/zinc/27/37/62/337273762.db2.gz PXXCGRLXZGLURL-ZDUSSCGKSA-N 1 2 300.406 2.992 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000188479245 337273763 /nfs/dbraw/zinc/27/37/63/337273763.db2.gz PXXCGRLXZGLURL-ZDUSSCGKSA-N 1 2 300.406 2.992 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000525942597 337289990 /nfs/dbraw/zinc/28/99/90/337289990.db2.gz OVSXIMVCMKBQKQ-AWEZNQCLSA-N 1 2 322.412 2.562 20 10 DFCDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(OCC)ccc1O)C1CC1 ZINC000191713782 521199671 /nfs/dbraw/zinc/19/96/71/521199671.db2.gz QQXRWJHIAFGXRB-LBPRGKRZSA-N 1 2 307.390 2.707 20 10 DFCDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(OCC)ccc1O)C1CC1 ZINC000191713782 521199677 /nfs/dbraw/zinc/19/96/77/521199677.db2.gz QQXRWJHIAFGXRB-LBPRGKRZSA-N 1 2 307.390 2.707 20 10 DFCDLO CN(C)c1ccc(C[N@H+](C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191149875 522170542 /nfs/dbraw/zinc/17/05/42/522170542.db2.gz NJFXMWGQLITIMA-UHFFFAOYSA-N 1 2 301.438 2.731 20 10 DFCDLO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C(C)(C)C)nn2)cc1 ZINC000191149875 522170553 /nfs/dbraw/zinc/17/05/53/522170553.db2.gz NJFXMWGQLITIMA-UHFFFAOYSA-N 1 2 301.438 2.731 20 10 DFCDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000189989373 524008232 /nfs/dbraw/zinc/00/82/32/524008232.db2.gz FZDMWSCMLIVGAD-HNNXBMFYSA-N 1 2 313.781 2.582 20 10 DFCDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000189989373 524008238 /nfs/dbraw/zinc/00/82/38/524008238.db2.gz FZDMWSCMLIVGAD-HNNXBMFYSA-N 1 2 313.781 2.582 20 10 DFCDLO Cc1cc(CN2CC[NH+](Cc3cccc(Cl)c3O)CC2)no1 ZINC000179609115 524696659 /nfs/dbraw/zinc/69/66/59/524696659.db2.gz XGEHRLAVPYSVJQ-UHFFFAOYSA-N 1 2 321.808 2.660 20 10 DFCDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1cccc(F)c1 ZINC000267152840 525516430 /nfs/dbraw/zinc/51/64/30/525516430.db2.gz CTBPVGWWBRFQCE-QLJPJBMISA-N 1 2 320.320 2.651 20 10 DFCDLO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000187924729 525541284 /nfs/dbraw/zinc/54/12/84/525541284.db2.gz FCFSIJAHBKTUIJ-WCQYABFASA-N 1 2 307.340 2.925 20 10 DFCDLO Cc1ncc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)s1 ZINC000180094256 527258323 /nfs/dbraw/zinc/25/83/23/527258323.db2.gz WPDHELXTWHMAAW-UHFFFAOYSA-N 1 2 321.421 2.614 20 10 DFCDLO Cc1ncc(C[NH+]2CCN(Cc3cc(F)ccc3O)CC2)s1 ZINC000180094256 527258326 /nfs/dbraw/zinc/25/83/26/527258326.db2.gz WPDHELXTWHMAAW-UHFFFAOYSA-N 1 2 321.421 2.614 20 10 DFCDLO CCCCN(Cc1ccccc1O)C(=O)CCc1[nH]cc[nH+]1 ZINC000288022637 535259950 /nfs/dbraw/zinc/25/99/50/535259950.db2.gz YPLWFQNYYRSPEF-UHFFFAOYSA-N 1 2 301.390 2.877 20 10 DFCDLO CC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc(Cl)c1O ZINC000287716463 535805040 /nfs/dbraw/zinc/80/50/40/535805040.db2.gz OJZNGGSBIIRDIB-CABCVRRESA-N 1 2 313.825 2.874 20 10 DFCDLO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc(Cl)c1O ZINC000287823194 535808135 /nfs/dbraw/zinc/80/81/35/535808135.db2.gz VICCQTWFFFQDHR-KGLIPLIRSA-N 1 2 309.797 2.553 20 10 DFCDLO Cn1cc([C@]2(C)C[N@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000092016601 398552970 /nfs/dbraw/zinc/55/29/70/398552970.db2.gz QPJJSZIFUHQOKQ-INIZCTEOSA-N 1 2 321.808 2.527 20 10 DFCDLO Cn1cc([C@]2(C)C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000092016601 398552972 /nfs/dbraw/zinc/55/29/72/398552972.db2.gz QPJJSZIFUHQOKQ-INIZCTEOSA-N 1 2 321.808 2.527 20 10 DFCDLO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(F)c(F)c1O ZINC000281020925 296119801 /nfs/dbraw/zinc/11/98/01/296119801.db2.gz MENWSBIVFOHCHV-GSDQLPOLSA-N 1 2 303.374 2.622 20 10 DFCDLO CCC[NH+](CCC)c1ccc(CN2CCS(=O)(=O)CC2)cc1 ZINC000093048087 193197238 /nfs/dbraw/zinc/19/72/38/193197238.db2.gz GTGHRJJOIZMCEE-UHFFFAOYSA-N 1 2 324.490 2.543 20 10 DFCDLO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc(F)c(F)c1O ZINC000290207507 299398324 /nfs/dbraw/zinc/39/83/24/299398324.db2.gz HCEJAWIRVHYIJB-LQBHMHGISA-N 1 2 321.323 2.816 20 10 DFCDLO COc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000273384956 130114629 /nfs/dbraw/zinc/11/46/29/130114629.db2.gz JGDQSQIRCXIVMR-JTQLQIEISA-N 1 2 303.318 2.555 20 10 DFCDLO Cn1cncc1[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CCO1 ZINC000275688963 130364176 /nfs/dbraw/zinc/36/41/76/130364176.db2.gz WWKZFDYNABPPKU-IUODEOHRSA-N 1 2 321.808 2.789 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000288544399 131330061 /nfs/dbraw/zinc/33/00/61/131330061.db2.gz LAGOFQOSXUBEID-ZDUSSCGKSA-N 1 2 318.304 2.533 20 10 DFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCn1cc[nH+]c1 ZINC000299681693 132115470 /nfs/dbraw/zinc/11/54/70/132115470.db2.gz SBFJYANAIHWNTP-UHFFFAOYSA-N 1 2 314.433 2.776 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000292737922 543016898 /nfs/dbraw/zinc/01/68/98/543016898.db2.gz HAZPZGRUXKTXQG-ZDUSSCGKSA-N 1 2 319.323 2.943 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000292737922 543016902 /nfs/dbraw/zinc/01/69/02/543016902.db2.gz HAZPZGRUXKTXQG-ZDUSSCGKSA-N 1 2 319.323 2.943 20 10 DFCDLO COCCN(C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185315280 292427587 /nfs/dbraw/zinc/42/75/87/292427587.db2.gz IQLFZZIDWUPNTN-SNVBAGLBSA-N 1 2 321.248 2.928 20 10 DFCDLO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000287876108 286931185 /nfs/dbraw/zinc/93/11/85/286931185.db2.gz YDQIRIHUQYIKTN-IINYFYTJSA-N 1 2 308.809 2.850 20 10 DFCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1nncn1C ZINC000037017365 425847116 /nfs/dbraw/zinc/84/71/16/425847116.db2.gz RZMVHVRHTYQHPD-ZETCQYMHSA-N 1 2 301.177 2.678 20 10 DFCDLO CC[N@@H+]1CC[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461954 426193694 /nfs/dbraw/zinc/19/36/94/426193694.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 1 2 322.424 2.896 20 10 DFCDLO CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000079461954 426193697 /nfs/dbraw/zinc/19/36/97/426193697.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 1 2 322.424 2.896 20 10 DFCDLO CCCOC(=O)[C@H](C)[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119489426 426292300 /nfs/dbraw/zinc/29/23/00/426292300.db2.gz GWMVNUSOJIADJO-HOCLYGCPSA-N 1 2 321.417 2.715 20 10 DFCDLO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093899194 426360281 /nfs/dbraw/zinc/36/02/81/426360281.db2.gz JCPLHKXDHXWJAQ-MRVPVSSYSA-N 1 2 305.205 2.513 20 10 DFCDLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000093899194 426360283 /nfs/dbraw/zinc/36/02/83/426360283.db2.gz JCPLHKXDHXWJAQ-MRVPVSSYSA-N 1 2 305.205 2.513 20 10 DFCDLO Cc1cc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)on1 ZINC000122379148 426372920 /nfs/dbraw/zinc/37/29/20/426372920.db2.gz VMDIXOJMXMLZOB-UHFFFAOYSA-N 1 2 321.808 2.660 20 10 DFCDLO CN1C(=O)/C(=C/c2ccc(N3CCCC3)[nH+]c2)SC1=S ZINC000123901423 426459721 /nfs/dbraw/zinc/45/97/21/426459721.db2.gz DVEBUYMRXXVBFH-FLIBITNWSA-N 1 2 305.428 2.513 20 10 DFCDLO COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186203376 426493765 /nfs/dbraw/zinc/49/37/65/426493765.db2.gz UCPQJEILZCIGEZ-IUCAKERBSA-N 1 2 308.205 2.747 20 10 DFCDLO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc(F)c(F)c1O ZINC000290207509 426717173 /nfs/dbraw/zinc/71/71/73/426717173.db2.gz HCEJAWIRVHYIJB-LUFJJVMOSA-N 1 2 321.323 2.816 20 10 DFCDLO COc1cc(O)c(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000179780266 426817485 /nfs/dbraw/zinc/81/74/85/426817485.db2.gz SYYAIIJRNHWTBN-GFCCVEGCSA-N 1 2 317.389 2.512 20 10 DFCDLO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1OC ZINC000179780266 426817489 /nfs/dbraw/zinc/81/74/89/426817489.db2.gz SYYAIIJRNHWTBN-GFCCVEGCSA-N 1 2 317.389 2.512 20 10 DFCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000267116805 426826966 /nfs/dbraw/zinc/82/69/66/426826966.db2.gz SNEYTLJAJFSKBV-GFCCVEGCSA-N 1 2 305.378 2.731 20 10 DFCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000267116805 426826971 /nfs/dbraw/zinc/82/69/71/426826971.db2.gz SNEYTLJAJFSKBV-GFCCVEGCSA-N 1 2 305.378 2.731 20 10 DFCDLO Cc1ccc(O)c(C[NH2+][C@H](C)c2noc(COC(C)C)n2)c1 ZINC000290905410 426864853 /nfs/dbraw/zinc/86/48/53/426864853.db2.gz MMHAEILUSIGJHW-GFCCVEGCSA-N 1 2 305.378 2.859 20 10 DFCDLO CC[N@H+](Cc1cc(COC)on1)Cc1ccc(N(C)C)cc1 ZINC000291496804 426897710 /nfs/dbraw/zinc/89/77/10/426897710.db2.gz UPXWTKDIOBKBRQ-UHFFFAOYSA-N 1 2 303.406 2.909 20 10 DFCDLO CC[N@@H+](Cc1cc(COC)on1)Cc1ccc(N(C)C)cc1 ZINC000291496804 426897717 /nfs/dbraw/zinc/89/77/17/426897717.db2.gz UPXWTKDIOBKBRQ-UHFFFAOYSA-N 1 2 303.406 2.909 20 10 DFCDLO CCc1nnc(C[NH2+]Cc2ccc(N(CC)CC)c(F)c2)[nH]1 ZINC000295988978 427037187 /nfs/dbraw/zinc/03/71/87/427037187.db2.gz KBMKIAKEHCKVNW-UHFFFAOYSA-N 1 2 305.401 2.642 20 10 DFCDLO COCc1n[nH]c([C@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000296171491 427100241 /nfs/dbraw/zinc/10/02/41/427100241.db2.gz XHIUYLROLAXBEW-CQSZACIVSA-N 1 2 316.405 2.692 20 10 DFCDLO COCc1n[nH]c([C@H]2CCCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000296171491 427100245 /nfs/dbraw/zinc/10/02/45/427100245.db2.gz XHIUYLROLAXBEW-CQSZACIVSA-N 1 2 316.405 2.692 20 10 DFCDLO CCOc1cccc(C[N@H+](C)Cc2nncn2C(C)C)c1O ZINC000292849802 427202223 /nfs/dbraw/zinc/20/22/23/427202223.db2.gz TXGMSRIMFUCRSU-UHFFFAOYSA-N 1 2 304.394 2.595 20 10 DFCDLO CCOc1cccc(C[N@@H+](C)Cc2nncn2C(C)C)c1O ZINC000292849802 427202234 /nfs/dbraw/zinc/20/22/34/427202234.db2.gz TXGMSRIMFUCRSU-UHFFFAOYSA-N 1 2 304.394 2.595 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278178679 427424102 /nfs/dbraw/zinc/42/41/02/427424102.db2.gz GRMXDNULPHUAKG-ZDUSSCGKSA-N 1 2 324.377 2.556 20 10 DFCDLO CN(C)c1ccc(C[NH2+][C@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000293796675 427439682 /nfs/dbraw/zinc/43/96/82/427439682.db2.gz QYINOAQUBVROLV-OAHLLOKOSA-N 1 2 313.430 2.811 20 10 DFCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(F)c1O ZINC000272211430 427673136 /nfs/dbraw/zinc/67/31/36/427673136.db2.gz AMFKKQZGAJVWMZ-INIZCTEOSA-N 1 2 315.344 2.631 20 10 DFCDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(F)c1O ZINC000272211430 427673140 /nfs/dbraw/zinc/67/31/40/427673140.db2.gz AMFKKQZGAJVWMZ-INIZCTEOSA-N 1 2 315.344 2.631 20 10 DFCDLO CC(C)c1nnc([C@@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)o1 ZINC000279720508 427717632 /nfs/dbraw/zinc/71/76/32/427717632.db2.gz UPOQHNPNCTYBQY-ZDUSSCGKSA-N 1 2 321.352 2.611 20 10 DFCDLO CC(C)c1nnc([C@@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)o1 ZINC000279720508 427717637 /nfs/dbraw/zinc/71/76/37/427717637.db2.gz UPOQHNPNCTYBQY-ZDUSSCGKSA-N 1 2 321.352 2.611 20 10 DFCDLO COc1ccc([N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C2CC2)cc1 ZINC000280020806 427725641 /nfs/dbraw/zinc/72/56/41/427725641.db2.gz MMPALCLZPCRJPW-KBPBESRZSA-N 1 2 323.458 2.735 20 10 DFCDLO COc1ccc([N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C2CC2)cc1 ZINC000280020806 427725645 /nfs/dbraw/zinc/72/56/45/427725645.db2.gz MMPALCLZPCRJPW-KBPBESRZSA-N 1 2 323.458 2.735 20 10 DFCDLO CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2noc(C)n2)c1O ZINC000359976650 428100406 /nfs/dbraw/zinc/10/04/06/428100406.db2.gz IGDJVAXRPVISOW-CYBMUJFWSA-N 1 2 303.362 2.819 20 10 DFCDLO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2noc(C)n2)c1O ZINC000359976650 428100409 /nfs/dbraw/zinc/10/04/09/428100409.db2.gz IGDJVAXRPVISOW-CYBMUJFWSA-N 1 2 303.362 2.819 20 10 DFCDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc(Cl)c1O ZINC000371422981 428389811 /nfs/dbraw/zinc/38/98/11/428389811.db2.gz HZIAMNJFVVDMAI-GDLCADMTSA-N 1 2 308.809 2.664 20 10 DFCDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Cl)c1O ZINC000371422981 428389817 /nfs/dbraw/zinc/38/98/17/428389817.db2.gz HZIAMNJFVVDMAI-GDLCADMTSA-N 1 2 308.809 2.664 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@H](C)CS(C)(=O)=O ZINC000374299479 428672513 /nfs/dbraw/zinc/67/25/13/428672513.db2.gz ZGCIVZYORHKAAA-ZDUSSCGKSA-N 1 2 311.447 2.519 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@H](C)CS(C)(=O)=O ZINC000374299479 428672514 /nfs/dbraw/zinc/67/25/14/428672514.db2.gz ZGCIVZYORHKAAA-ZDUSSCGKSA-N 1 2 311.447 2.519 20 10 DFCDLO CCOc1ncnc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000362388267 428729121 /nfs/dbraw/zinc/72/91/21/428729121.db2.gz CPRAAEUJBPDVRJ-UHFFFAOYSA-N 1 2 319.792 2.793 20 10 DFCDLO CCOc1ncnc2c1C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000362388267 428729126 /nfs/dbraw/zinc/72/91/26/428729126.db2.gz CPRAAEUJBPDVRJ-UHFFFAOYSA-N 1 2 319.792 2.793 20 10 DFCDLO CN(C)c1ccc(C2=CC[N@H+](Cc3noc(C4CC4)n3)C2)cc1 ZINC000374782197 428751758 /nfs/dbraw/zinc/75/17/58/428751758.db2.gz OXIMJUTWDGSJGN-UHFFFAOYSA-N 1 2 310.401 2.912 20 10 DFCDLO CN(C)c1ccc(C2=CC[N@@H+](Cc3noc(C4CC4)n3)C2)cc1 ZINC000374782197 428751764 /nfs/dbraw/zinc/75/17/64/428751764.db2.gz OXIMJUTWDGSJGN-UHFFFAOYSA-N 1 2 310.401 2.912 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@H](c3ncc[nH]3)c3ccncc3)ccc21 ZINC000364383282 429194768 /nfs/dbraw/zinc/19/47/68/429194768.db2.gz IESKHOZXBIKADQ-SFHVURJKSA-N 1 2 319.412 2.676 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000364399888 429197489 /nfs/dbraw/zinc/19/74/89/429197489.db2.gz MQTNXPFXXFHOBK-OAHLLOKOSA-N 1 2 309.793 2.859 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000364399888 429197493 /nfs/dbraw/zinc/19/74/93/429197493.db2.gz MQTNXPFXXFHOBK-OAHLLOKOSA-N 1 2 309.793 2.859 20 10 DFCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000368120346 429792505 /nfs/dbraw/zinc/79/25/05/429792505.db2.gz ONPDHLZVHRXXGQ-KRWDZBQOSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cc(F)ccc1O ZINC000368120346 429792509 /nfs/dbraw/zinc/79/25/09/429792509.db2.gz ONPDHLZVHRXXGQ-KRWDZBQOSA-N 1 2 314.360 2.513 20 10 DFCDLO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(Cl)cc(Cl)c1O ZINC000530228275 430106120 /nfs/dbraw/zinc/10/61/20/430106120.db2.gz ZPDZRRZQYAQHLB-GXFFZTMASA-N 1 2 319.232 2.728 20 10 DFCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ncnn1C ZINC000276414310 334077329 /nfs/dbraw/zinc/07/73/29/334077329.db2.gz BREDAMZYNHEQHR-ZETCQYMHSA-N 1 2 301.177 2.678 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000279243814 334106957 /nfs/dbraw/zinc/10/69/57/334106957.db2.gz GHQDZHPPSHHPPX-MGPLVRAMSA-N 1 2 307.365 2.733 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000279243814 334106958 /nfs/dbraw/zinc/10/69/58/334106958.db2.gz GHQDZHPPSHHPPX-MGPLVRAMSA-N 1 2 307.365 2.733 20 10 DFCDLO CCOc1ccc(O)c(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000375394477 337010213 /nfs/dbraw/zinc/01/02/13/337010213.db2.gz PFMOFRNPZMTYFV-KRWDZBQOSA-N 1 2 324.384 2.788 20 10 DFCDLO CC[C@H](c1ccccc1O)[N@@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000377672708 337058067 /nfs/dbraw/zinc/05/80/67/337058067.db2.gz LRYCUZOEIWALTA-CQSZACIVSA-N 1 2 311.447 2.742 20 10 DFCDLO CC[C@H](c1ccccc1O)[N@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000377672708 337058068 /nfs/dbraw/zinc/05/80/68/337058068.db2.gz LRYCUZOEIWALTA-CQSZACIVSA-N 1 2 311.447 2.742 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377690021 337058598 /nfs/dbraw/zinc/05/85/98/337058598.db2.gz FYMDMRXHLYIWQZ-LSDHHAIUSA-N 1 2 311.809 2.734 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377690021 337058599 /nfs/dbraw/zinc/05/85/99/337058599.db2.gz FYMDMRXHLYIWQZ-LSDHHAIUSA-N 1 2 311.809 2.734 20 10 DFCDLO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191307588 337295707 /nfs/dbraw/zinc/29/57/07/337295707.db2.gz DXZHWFRUGVQBEL-LLVKDONJSA-N 1 2 324.787 2.963 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219801430 340509800 /nfs/dbraw/zinc/50/98/00/340509800.db2.gz WIMNCGNEZLGCQT-TVQRCGJNSA-N 1 2 301.217 2.883 20 10 DFCDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)C(=O)N1CCCC1 ZINC000134589012 341219028 /nfs/dbraw/zinc/21/90/28/341219028.db2.gz XNBNUJWJRHKZIM-VIFPVBQESA-N 1 2 317.216 2.800 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC3(CCCC3)C2)c1O ZINC000158343169 518283479 /nfs/dbraw/zinc/28/34/79/518283479.db2.gz AKXSQEFTURFKBV-UHFFFAOYSA-N 1 2 307.365 2.879 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC3(CCCC3)C2)c1O ZINC000158343169 518283486 /nfs/dbraw/zinc/28/34/86/518283486.db2.gz AKXSQEFTURFKBV-UHFFFAOYSA-N 1 2 307.365 2.879 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1F ZINC000190040856 520891846 /nfs/dbraw/zinc/89/18/46/520891846.db2.gz FTDJRSNWHVQICW-GOSISDBHSA-N 1 2 320.408 2.953 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1F ZINC000190040856 520891854 /nfs/dbraw/zinc/89/18/54/520891854.db2.gz FTDJRSNWHVQICW-GOSISDBHSA-N 1 2 320.408 2.953 20 10 DFCDLO CCc1nc(C2([NH2+]Cc3cc(OC)ccc3O)CCCC2)no1 ZINC000181794841 522242637 /nfs/dbraw/zinc/24/26/37/522242637.db2.gz IGQWJJIQHAECAN-UHFFFAOYSA-N 1 2 317.389 2.905 20 10 DFCDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1cccc(F)c1 ZINC000267152838 525434045 /nfs/dbraw/zinc/43/40/45/525434045.db2.gz CTBPVGWWBRFQCE-MGPLVRAMSA-N 1 2 320.320 2.651 20 10 DFCDLO CCC[NH+](CCC)c1ccc(CNc2nnc(CO)o2)cc1 ZINC000283977922 535327314 /nfs/dbraw/zinc/32/73/14/535327314.db2.gz PBHVFFHFESTAMX-UHFFFAOYSA-N 1 2 304.394 2.800 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831190 185344456 /nfs/dbraw/zinc/34/44/56/185344456.db2.gz VJEJLDVWMRODPZ-HNNXBMFYSA-N 1 2 303.431 2.783 20 10 DFCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000092831190 185344457 /nfs/dbraw/zinc/34/44/57/185344457.db2.gz VJEJLDVWMRODPZ-HNNXBMFYSA-N 1 2 303.431 2.783 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000273591119 299353537 /nfs/dbraw/zinc/35/35/37/299353537.db2.gz PGDOAMABCFMSBA-JGVFFNPUSA-N 1 2 303.189 2.580 20 10 DFCDLO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)NCCF ZINC000282878920 296158668 /nfs/dbraw/zinc/15/86/68/296158668.db2.gz VOVPCIYSKSVPMH-HTQZYQBOSA-N 1 2 323.195 2.824 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCN1CC(F)(F)F ZINC000272462608 130032325 /nfs/dbraw/zinc/03/23/25/130032325.db2.gz QTKAXFBGUZIFFP-SNVBAGLBSA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1CC(F)(F)F ZINC000272462608 130032328 /nfs/dbraw/zinc/03/23/28/130032328.db2.gz QTKAXFBGUZIFFP-SNVBAGLBSA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@H]([NH2+]Cc1nncn1C)c1ccc(Cl)c(Cl)c1O ZINC000273296375 130104057 /nfs/dbraw/zinc/10/40/57/130104057.db2.gz AABQXDPXNJKXCC-ZETCQYMHSA-N 1 2 301.177 2.678 20 10 DFCDLO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273358177 130110891 /nfs/dbraw/zinc/11/08/91/130110891.db2.gz DFTYCOZALOKJDY-PXAZEXFGSA-N 1 2 316.357 2.993 20 10 DFCDLO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000284469683 131083141 /nfs/dbraw/zinc/08/31/41/131083141.db2.gz DMTYKFUKJUUKAS-RYUDHWBXSA-N 1 2 320.216 2.935 20 10 DFCDLO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000284469683 131083142 /nfs/dbraw/zinc/08/31/42/131083142.db2.gz DMTYKFUKJUUKAS-RYUDHWBXSA-N 1 2 320.216 2.935 20 10 DFCDLO C[C@H](c1nncn1C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000287287064 131273737 /nfs/dbraw/zinc/27/37/37/131273737.db2.gz LZSYEHVAMSIDLC-OAHLLOKOSA-N 1 2 313.449 2.998 20 10 DFCDLO C[C@H](c1nncn1C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000287287064 131273739 /nfs/dbraw/zinc/27/37/39/131273739.db2.gz LZSYEHVAMSIDLC-OAHLLOKOSA-N 1 2 313.449 2.998 20 10 DFCDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298324479 132056663 /nfs/dbraw/zinc/05/66/63/132056663.db2.gz ZKCSWTSDNCQMBT-AWEZNQCLSA-N 1 2 315.417 2.655 20 10 DFCDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298324479 132056664 /nfs/dbraw/zinc/05/66/64/132056664.db2.gz ZKCSWTSDNCQMBT-AWEZNQCLSA-N 1 2 315.417 2.655 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000293812238 296590166 /nfs/dbraw/zinc/59/01/66/296590166.db2.gz CPUJQTBENGEPSX-UHFFFAOYSA-N 1 2 324.787 2.792 20 10 DFCDLO CC[C@@H]([NH2+]CC(C)(C)OCCO)c1cccc(Cl)c1O ZINC000287260139 286902779 /nfs/dbraw/zinc/90/27/79/286902779.db2.gz IKXHEKVBMBMYTL-CYBMUJFWSA-N 1 2 301.814 2.874 20 10 DFCDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1C ZINC000129819540 426140298 /nfs/dbraw/zinc/14/02/98/426140298.db2.gz GMRQABWOGGZWLG-GOSISDBHSA-N 1 2 310.397 2.682 20 10 DFCDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)cc1C ZINC000129819540 426140299 /nfs/dbraw/zinc/14/02/99/426140299.db2.gz GMRQABWOGGZWLG-GOSISDBHSA-N 1 2 310.397 2.682 20 10 DFCDLO COc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1O ZINC000123332111 426427497 /nfs/dbraw/zinc/42/74/97/426427497.db2.gz QWNMLDXGVFFXBD-UHFFFAOYSA-N 1 2 315.417 2.816 20 10 DFCDLO COc1cccc(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1O ZINC000123332111 426427500 /nfs/dbraw/zinc/42/75/00/426427500.db2.gz QWNMLDXGVFFXBD-UHFFFAOYSA-N 1 2 315.417 2.816 20 10 DFCDLO COc1cccc(CN2CCc3c([nH+]c(C(C)C)n3C)C2)c1O ZINC000123332111 426427504 /nfs/dbraw/zinc/42/75/04/426427504.db2.gz QWNMLDXGVFFXBD-UHFFFAOYSA-N 1 2 315.417 2.816 20 10 DFCDLO COc1ccc(N2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)cc1 ZINC000265376211 426627449 /nfs/dbraw/zinc/62/74/49/426627449.db2.gz PXGBFJVNOYWCPQ-UHFFFAOYSA-N 1 2 324.428 2.998 20 10 DFCDLO COCCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000290155095 426704660 /nfs/dbraw/zinc/70/46/60/426704660.db2.gz LJOCSGBSVMIEJO-UHFFFAOYSA-N 1 2 308.205 2.794 20 10 DFCDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2cc(F)ccc2O)no1 ZINC000290836834 426852241 /nfs/dbraw/zinc/85/22/41/426852241.db2.gz HZJNKACYIJIOQB-JTQLQIEISA-N 1 2 309.341 2.690 20 10 DFCDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2cccc(F)c2O)no1 ZINC000290862345 426859247 /nfs/dbraw/zinc/85/92/47/426859247.db2.gz JSNZDYHWOMAUHI-SNVBAGLBSA-N 1 2 309.341 2.690 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCC=C(Br)C1)OCO2 ZINC000282378539 426894098 /nfs/dbraw/zinc/89/40/98/426894098.db2.gz HUQFXTCMXCQTFV-UHFFFAOYSA-N 1 2 312.163 2.605 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCC=C(Br)C1)OCO2 ZINC000282378539 426894107 /nfs/dbraw/zinc/89/41/07/426894107.db2.gz HUQFXTCMXCQTFV-UHFFFAOYSA-N 1 2 312.163 2.605 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)NCCF ZINC000282878924 426935251 /nfs/dbraw/zinc/93/52/51/426935251.db2.gz VOVPCIYSKSVPMH-JGVFFNPUSA-N 1 2 323.195 2.824 20 10 DFCDLO CCC[C@@](C)([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)OC ZINC000184048154 427382454 /nfs/dbraw/zinc/38/24/54/427382454.db2.gz JWELBGYIGMIEDD-OAHLLOKOSA-N 1 2 315.797 2.876 20 10 DFCDLO CCc1nnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC000293985559 427513771 /nfs/dbraw/zinc/51/37/71/427513771.db2.gz RQPQSVWMSFCRDV-UHFFFAOYSA-N 1 2 301.774 2.888 20 10 DFCDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184742322 427529534 /nfs/dbraw/zinc/52/95/34/427529534.db2.gz RRNNYFFOFYGDQT-GFCCVEGCSA-N 1 2 313.781 2.582 20 10 DFCDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184742322 427529540 /nfs/dbraw/zinc/52/95/40/427529540.db2.gz RRNNYFFOFYGDQT-GFCCVEGCSA-N 1 2 313.781 2.582 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000271758930 427584736 /nfs/dbraw/zinc/58/47/36/427584736.db2.gz DEPSDKRQKLVNJW-UHFFFAOYSA-N 1 2 321.783 2.902 20 10 DFCDLO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000287861512 427706550 /nfs/dbraw/zinc/70/65/50/427706550.db2.gz XISXPLZYGRDAFS-ZWNOBZJWSA-N 1 2 317.838 2.521 20 10 DFCDLO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccco2)c1O ZINC000369775526 428060927 /nfs/dbraw/zinc/06/09/27/428060927.db2.gz YAXDCQMIWNKHBG-CQSZACIVSA-N 1 2 303.358 2.957 20 10 DFCDLO CCOc1cccc(C[N@H+]2CCOC[C@@H]2c2ccco2)c1O ZINC000369775526 428060932 /nfs/dbraw/zinc/06/09/32/428060932.db2.gz YAXDCQMIWNKHBG-CQSZACIVSA-N 1 2 303.358 2.957 20 10 DFCDLO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)c(O)c1 ZINC000371375528 428386347 /nfs/dbraw/zinc/38/63/47/428386347.db2.gz VCXICOFZWQRITB-CQSZACIVSA-N 1 2 303.362 2.901 20 10 DFCDLO CCCC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000373223973 428525099 /nfs/dbraw/zinc/52/50/99/428525099.db2.gz NEGSAYWYMATVEJ-UHFFFAOYSA-N 1 2 310.825 2.880 20 10 DFCDLO CCCC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000373223973 428525104 /nfs/dbraw/zinc/52/51/04/428525104.db2.gz NEGSAYWYMATVEJ-UHFFFAOYSA-N 1 2 310.825 2.880 20 10 DFCDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000374306584 428673750 /nfs/dbraw/zinc/67/37/50/428673750.db2.gz FIMDGPPXXRYXBN-INIZCTEOSA-N 1 2 316.788 2.630 20 10 DFCDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000374306584 428673757 /nfs/dbraw/zinc/67/37/57/428673757.db2.gz FIMDGPPXXRYXBN-INIZCTEOSA-N 1 2 316.788 2.630 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)c(F)c1O ZINC000364802450 429265062 /nfs/dbraw/zinc/26/50/62/429265062.db2.gz GABZZNCZAXMATN-MMPTUQATSA-N 1 2 313.344 2.659 20 10 DFCDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(Cl)c1O ZINC000364901708 429267404 /nfs/dbraw/zinc/26/74/04/429267404.db2.gz YQBCMFQLGWCIFX-OAHLLOKOSA-N 1 2 316.788 2.630 20 10 DFCDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000364901708 429267411 /nfs/dbraw/zinc/26/74/11/429267411.db2.gz YQBCMFQLGWCIFX-OAHLLOKOSA-N 1 2 316.788 2.630 20 10 DFCDLO CCCn1ncnc1C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000366077221 429414516 /nfs/dbraw/zinc/41/45/16/429414516.db2.gz JXOCJDIZJLDIFA-UHFFFAOYSA-N 1 2 311.433 2.653 20 10 DFCDLO CCCn1ncnc1C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000366077221 429414521 /nfs/dbraw/zinc/41/45/21/429414521.db2.gz JXOCJDIZJLDIFA-UHFFFAOYSA-N 1 2 311.433 2.653 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1O ZINC000527951659 429827079 /nfs/dbraw/zinc/82/70/79/429827079.db2.gz CNVDPHIZEGSYOR-KPXOXKRLSA-N 1 2 320.216 2.890 20 10 DFCDLO CCC[N@@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000528398059 429884832 /nfs/dbraw/zinc/88/48/32/429884832.db2.gz WHNSRBXWFHUNQF-UHFFFAOYSA-N 1 2 323.414 2.801 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc(Cl)c(Cl)c1O ZINC000530227007 430105602 /nfs/dbraw/zinc/10/56/02/430105602.db2.gz QNMVJSCLBAPBHC-SKDRFNHKSA-N 1 2 319.232 2.728 20 10 DFCDLO COc1ccncc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000293981550 335116454 /nfs/dbraw/zinc/11/64/54/335116454.db2.gz BJUGPNJHIYOQPF-SNVBAGLBSA-N 1 2 303.318 2.555 20 10 DFCDLO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000377657266 337057629 /nfs/dbraw/zinc/05/76/29/337057629.db2.gz ZSDAYKDBQVVJSL-IINYFYTJSA-N 1 2 303.362 2.990 20 10 DFCDLO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000377657266 337057630 /nfs/dbraw/zinc/05/76/30/337057630.db2.gz ZSDAYKDBQVVJSL-IINYFYTJSA-N 1 2 303.362 2.990 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000377693736 337058819 /nfs/dbraw/zinc/05/88/19/337058819.db2.gz HRESCSMRDVWDMJ-UHFFFAOYSA-N 1 2 321.783 2.902 20 10 DFCDLO CCn1c(C)nnc1C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378538512 337075397 /nfs/dbraw/zinc/07/53/97/337075397.db2.gz GWXFEESONXZVJU-UHFFFAOYSA-N 1 2 311.433 2.572 20 10 DFCDLO CCn1c(C)nnc1C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378538512 337075398 /nfs/dbraw/zinc/07/53/98/337075398.db2.gz GWXFEESONXZVJU-UHFFFAOYSA-N 1 2 311.433 2.572 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nnc2n1CCCC2 ZINC000185585474 337249174 /nfs/dbraw/zinc/24/91/74/337249174.db2.gz VQGWWNZEPOLULW-WDEREUQCSA-N 1 2 304.369 2.871 20 10 DFCDLO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000191229904 337295066 /nfs/dbraw/zinc/29/50/66/337295066.db2.gz IZTMKYKSBWXXPE-VIFPVBQESA-N 1 2 324.787 2.963 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000131535776 521144854 /nfs/dbraw/zinc/14/48/54/521144854.db2.gz LCXQXEMNBGDZLX-GFCCVEGCSA-N 1 2 309.406 2.953 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000131535776 521144863 /nfs/dbraw/zinc/14/48/63/521144863.db2.gz LCXQXEMNBGDZLX-GFCCVEGCSA-N 1 2 309.406 2.953 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000365979318 521689114 /nfs/dbraw/zinc/68/91/14/521689114.db2.gz NDGSQDFDCNNKNB-AWEZNQCLSA-N 1 2 313.401 2.974 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156337333 521689469 /nfs/dbraw/zinc/68/94/69/521689469.db2.gz HMEVSLKOLUQGOP-CQSZACIVSA-N 1 2 313.401 2.590 20 10 DFCDLO CN(C)c1ccc(C[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000265235742 522211314 /nfs/dbraw/zinc/21/13/14/522211314.db2.gz JOWMMRGRNVFAIG-INIZCTEOSA-N 1 2 306.356 2.854 20 10 DFCDLO COC(=O)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000182994560 523146617 /nfs/dbraw/zinc/14/66/17/523146617.db2.gz BIZOUBQJDTZRMZ-UHFFFAOYSA-N 1 2 315.369 2.576 20 10 DFCDLO COC(=O)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000182994560 523146627 /nfs/dbraw/zinc/14/66/27/523146627.db2.gz BIZOUBQJDTZRMZ-UHFFFAOYSA-N 1 2 315.369 2.576 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCO[C@H](c3noc(C(C)C)n3)C2)c1O ZINC000364907956 524403423 /nfs/dbraw/zinc/40/34/23/524403423.db2.gz ZANAUPSKKPXZFL-AWEZNQCLSA-N 1 2 317.389 2.781 20 10 DFCDLO Cc1cccc(C[N@H+]2CCO[C@H](c3noc(C(C)C)n3)C2)c1O ZINC000364907956 524403430 /nfs/dbraw/zinc/40/34/30/524403430.db2.gz ZANAUPSKKPXZFL-AWEZNQCLSA-N 1 2 317.389 2.781 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)c1O ZINC000180630131 524405584 /nfs/dbraw/zinc/40/55/84/524405584.db2.gz SMHWMDYKLRFKIK-UHFFFAOYSA-N 1 2 320.396 2.975 20 10 DFCDLO Cc1cccc(C[N@H+]2CCn3c(nnc3-c3ccccc3)C2)c1O ZINC000180630131 524405587 /nfs/dbraw/zinc/40/55/87/524405587.db2.gz SMHWMDYKLRFKIK-UHFFFAOYSA-N 1 2 320.396 2.975 20 10 DFCDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1CC(F)(F)F ZINC000180289225 524611644 /nfs/dbraw/zinc/61/16/44/524611644.db2.gz XZTIAOFQMAXEIG-JTQLQIEISA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1CC(F)(F)F ZINC000180289225 524611654 /nfs/dbraw/zinc/61/16/54/524611654.db2.gz XZTIAOFQMAXEIG-JTQLQIEISA-N 1 2 306.303 2.600 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2ccc(C)o2)c1 ZINC000180290145 524743580 /nfs/dbraw/zinc/74/35/80/524743580.db2.gz UHJMMPVKCUEHKB-HNNXBMFYSA-N 1 2 303.358 2.876 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2ccc(C)o2)c1 ZINC000180290145 524743589 /nfs/dbraw/zinc/74/35/89/524743589.db2.gz UHJMMPVKCUEHKB-HNNXBMFYSA-N 1 2 303.358 2.876 20 10 DFCDLO COc1ccc(O)c(C[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000181788521 524750122 /nfs/dbraw/zinc/75/01/22/524750122.db2.gz SGCZYERGWOWCLM-UHFFFAOYSA-N 1 2 303.362 2.651 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000180562805 524866405 /nfs/dbraw/zinc/86/64/05/524866405.db2.gz DTXRWUBPVFHVPQ-ZDUSSCGKSA-N 1 2 306.797 2.820 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000180562805 524866413 /nfs/dbraw/zinc/86/64/13/524866413.db2.gz DTXRWUBPVFHVPQ-ZDUSSCGKSA-N 1 2 306.797 2.820 20 10 DFCDLO Cn1cc([C@@]2(C)C[N@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000092016600 398552370 /nfs/dbraw/zinc/55/23/70/398552370.db2.gz QPJJSZIFUHQOKQ-MRXNPFEDSA-N 1 2 321.808 2.527 20 10 DFCDLO Cn1cc([C@@]2(C)C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000092016600 398552372 /nfs/dbraw/zinc/55/23/72/398552372.db2.gz QPJJSZIFUHQOKQ-MRXNPFEDSA-N 1 2 321.808 2.527 20 10 DFCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@]12CCCO2 ZINC000273699495 535411655 /nfs/dbraw/zinc/41/16/55/535411655.db2.gz CXLQZQYUNYVDIC-FMKPAKJESA-N 1 2 311.809 2.862 20 10 DFCDLO Oc1cccc(Cl)c1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000272857756 130070027 /nfs/dbraw/zinc/07/00/27/130070027.db2.gz ULXRGTCHNVOGTM-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO Oc1cccc(Cl)c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000272857756 130070029 /nfs/dbraw/zinc/07/00/29/130070029.db2.gz ULXRGTCHNVOGTM-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@]12CCCO2 ZINC000273699505 130155745 /nfs/dbraw/zinc/15/57/45/130155745.db2.gz CXLQZQYUNYVDIC-SQWLQELKSA-N 1 2 311.809 2.862 20 10 DFCDLO OCCCSCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000222941220 542884273 /nfs/dbraw/zinc/88/42/73/542884273.db2.gz OWMLJOMMGDCHTG-UHFFFAOYSA-N 1 2 310.246 2.904 20 10 DFCDLO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1cccc(Cl)c1O ZINC000287267642 286908513 /nfs/dbraw/zinc/90/85/13/286908513.db2.gz ASZAXDRKFUZENL-GFCCVEGCSA-N 1 2 305.827 2.521 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1O ZINC000189009852 287045375 /nfs/dbraw/zinc/04/53/75/287045375.db2.gz SPJLCPKZIOUZHW-SFYZADRCSA-N 1 2 305.205 2.826 20 10 DFCDLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@H]1c1ccc(OC)cc1O ZINC000078762807 426185052 /nfs/dbraw/zinc/18/50/52/426185052.db2.gz AATYDXKCDQUULI-MRXNPFEDSA-N 1 2 318.417 2.944 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCn3c(nnc3-c3ccccc3)C2)c1 ZINC000093842837 426358338 /nfs/dbraw/zinc/35/83/38/426358338.db2.gz GZTCRKQEGONITQ-UHFFFAOYSA-N 1 2 320.396 2.975 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCn3c(nnc3-c3ccccc3)C2)c1 ZINC000093842837 426358339 /nfs/dbraw/zinc/35/83/39/426358339.db2.gz GZTCRKQEGONITQ-UHFFFAOYSA-N 1 2 320.396 2.975 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000093816633 426358487 /nfs/dbraw/zinc/35/84/87/426358487.db2.gz QNLGWXAVKDRGSR-UHFFFAOYSA-N 1 2 324.490 2.542 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000093816633 426358488 /nfs/dbraw/zinc/35/84/88/426358488.db2.gz QNLGWXAVKDRGSR-UHFFFAOYSA-N 1 2 324.490 2.542 20 10 DFCDLO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)c(F)c1O ZINC000289607446 426670398 /nfs/dbraw/zinc/67/03/98/426670398.db2.gz CWJQENPYYCAXMU-SNVBAGLBSA-N 1 2 307.344 2.982 20 10 DFCDLO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187703571 426687538 /nfs/dbraw/zinc/68/75/38/426687538.db2.gz BXTWMSGKRRKLTD-JTQLQIEISA-N 1 2 312.360 2.580 20 10 DFCDLO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000281155468 426703605 /nfs/dbraw/zinc/70/36/05/426703605.db2.gz OUSHKFGIHONUFO-CMPLNLGQSA-N 1 2 312.360 2.580 20 10 DFCDLO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc(F)c(F)c1O ZINC000187789062 426692465 /nfs/dbraw/zinc/69/24/65/426692465.db2.gz KOKNRYKCRVTEEC-NSHDSACASA-N 1 2 315.360 2.907 20 10 DFCDLO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273605180 426694750 /nfs/dbraw/zinc/69/47/50/426694750.db2.gz TXDHOUXVFOIJBY-RKDXNWHRSA-N 1 2 322.283 2.918 20 10 DFCDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000290251510 426727085 /nfs/dbraw/zinc/72/70/85/426727085.db2.gz VUOYDNXUYLDWKP-LBPRGKRZSA-N 1 2 312.797 2.756 20 10 DFCDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000290251510 426727090 /nfs/dbraw/zinc/72/70/90/426727090.db2.gz VUOYDNXUYLDWKP-LBPRGKRZSA-N 1 2 312.797 2.756 20 10 DFCDLO CCCCN(Cc1ccccc1O)c1[nH+]cnc2c1cnn2C ZINC000282256324 426865041 /nfs/dbraw/zinc/86/50/41/426865041.db2.gz NJWDXYKTUKZKKU-UHFFFAOYSA-N 1 2 311.389 2.876 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)no1 ZINC000291050842 426874297 /nfs/dbraw/zinc/87/42/97/426874297.db2.gz ZWARXKRWRFIBTC-GFCCVEGCSA-N 1 2 305.378 2.779 20 10 DFCDLO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)CCC1 ZINC000277240578 427140702 /nfs/dbraw/zinc/14/07/02/427140702.db2.gz NBEGTSSBFSDAON-SNVBAGLBSA-N 1 2 312.360 2.627 20 10 DFCDLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000277511737 427227328 /nfs/dbraw/zinc/22/73/28/427227328.db2.gz WLXDSULEEUAGSY-ZJUUUORDSA-N 1 2 319.365 2.783 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)c1O ZINC000296789876 427235606 /nfs/dbraw/zinc/23/56/06/427235606.db2.gz SRJFBDKLVIOJNC-LBPRGKRZSA-N 1 2 320.408 2.650 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)c1O ZINC000296789876 427235615 /nfs/dbraw/zinc/23/56/15/427235615.db2.gz SRJFBDKLVIOJNC-LBPRGKRZSA-N 1 2 320.408 2.650 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2ccc3c(n2)CCCC3)c1 ZINC000277763527 427311311 /nfs/dbraw/zinc/31/13/11/427311311.db2.gz SIKWWXUMRBFEDK-UHFFFAOYSA-N 1 2 313.357 2.864 20 10 DFCDLO Cn1nccc1N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000278721351 427450405 /nfs/dbraw/zinc/45/04/05/427450405.db2.gz PQNDQAWIROYHDS-ZDUSSCGKSA-N 1 2 320.824 2.538 20 10 DFCDLO CCc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000278295114 427427899 /nfs/dbraw/zinc/42/78/99/427427899.db2.gz CAISQYJQKFZOMA-UHFFFAOYSA-N 1 2 323.374 2.618 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000294271537 427605050 /nfs/dbraw/zinc/60/50/50/427605050.db2.gz OKQNLZBVISXZQM-UHFFFAOYSA-N 1 2 315.772 2.960 20 10 DFCDLO COc1ccc([N@H+](C[C@H]2CCS(=O)(=O)C2)[C@H](C)C2CC2)cc1 ZINC000280020820 427727169 /nfs/dbraw/zinc/72/71/69/427727169.db2.gz MMPALCLZPCRJPW-ZIAGYGMSSA-N 1 2 323.458 2.735 20 10 DFCDLO COc1ccc([N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@H](C)C2CC2)cc1 ZINC000280020820 427727174 /nfs/dbraw/zinc/72/71/74/427727174.db2.gz MMPALCLZPCRJPW-ZIAGYGMSSA-N 1 2 323.458 2.735 20 10 DFCDLO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217872 428524621 /nfs/dbraw/zinc/52/46/21/428524621.db2.gz SJSIXSOXMCJBGE-OCCSQVGLSA-N 1 2 308.809 2.536 20 10 DFCDLO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217872 428524625 /nfs/dbraw/zinc/52/46/25/428524625.db2.gz SJSIXSOXMCJBGE-OCCSQVGLSA-N 1 2 308.809 2.536 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2F)c1O ZINC000363850227 428997756 /nfs/dbraw/zinc/99/77/56/428997756.db2.gz PMQYWBNFIBZJBC-INIZCTEOSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2F)c1O ZINC000363850227 428997759 /nfs/dbraw/zinc/99/77/59/428997759.db2.gz PMQYWBNFIBZJBC-INIZCTEOSA-N 1 2 314.360 2.513 20 10 DFCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000492774634 429613790 /nfs/dbraw/zinc/61/37/90/429613790.db2.gz XENXMZJDSPNIDM-AATRIKPKSA-N 1 2 311.263 2.985 20 10 DFCDLO CCn1ncc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000527923534 429821210 /nfs/dbraw/zinc/82/12/10/429821210.db2.gz KGANFCSZSYOHFX-SECBINFHSA-N 1 2 314.311 2.873 20 10 DFCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC2(CCOCC2)O1 ZINC000280444175 300270931 /nfs/dbraw/zinc/27/09/31/300270931.db2.gz KREGBCFSTXQKJO-LBPRGKRZSA-N 1 2 311.809 2.816 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC2(CCOCC2)O1 ZINC000280444175 300270935 /nfs/dbraw/zinc/27/09/35/300270935.db2.gz KREGBCFSTXQKJO-LBPRGKRZSA-N 1 2 311.809 2.816 20 10 DFCDLO CC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000133272864 332138723 /nfs/dbraw/zinc/13/87/23/332138723.db2.gz WPCIBURRSMXXDB-UHFFFAOYSA-N 1 2 317.216 2.753 20 10 DFCDLO CC(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000133272864 332138724 /nfs/dbraw/zinc/13/87/24/332138724.db2.gz WPCIBURRSMXXDB-UHFFFAOYSA-N 1 2 317.216 2.753 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000294118473 335120235 /nfs/dbraw/zinc/12/02/35/335120235.db2.gz KCSIKGZIYWEWBW-XVJNWHFHSA-N 1 2 308.385 2.829 20 10 DFCDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)CC[S@@]1=O ZINC000294772895 335127282 /nfs/dbraw/zinc/12/72/82/335127282.db2.gz TVABGDXYDXFDRZ-HOGDKLEQSA-N 1 2 305.802 2.528 20 10 DFCDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[S@@]1=O ZINC000294772895 335127283 /nfs/dbraw/zinc/12/72/83/335127283.db2.gz TVABGDXYDXFDRZ-HOGDKLEQSA-N 1 2 305.802 2.528 20 10 DFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000294797364 335127415 /nfs/dbraw/zinc/12/74/15/335127415.db2.gz VSQSLXLPOUZNKF-MWLCHTKSSA-N 1 2 315.772 2.816 20 10 DFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000294797364 335127416 /nfs/dbraw/zinc/12/74/16/335127416.db2.gz VSQSLXLPOUZNKF-MWLCHTKSSA-N 1 2 315.772 2.816 20 10 DFCDLO Cc1cc(C[N@H+](C)Cc2ncnn2CC(F)F)ccc1N(C)C ZINC000294044984 334205087 /nfs/dbraw/zinc/20/50/87/334205087.db2.gz IXGNWGFIBDKUTE-UHFFFAOYSA-N 1 2 323.391 2.550 20 10 DFCDLO Cc1cc(C[N@@H+](C)Cc2ncnn2CC(F)F)ccc1N(C)C ZINC000294044984 334205088 /nfs/dbraw/zinc/20/50/88/334205088.db2.gz IXGNWGFIBDKUTE-UHFFFAOYSA-N 1 2 323.391 2.550 20 10 DFCDLO COc1ccc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000301080158 336288871 /nfs/dbraw/zinc/28/88/71/336288871.db2.gz STTOXAWPVXMBLM-UHFFFAOYSA-N 1 2 308.385 2.898 20 10 DFCDLO Cc1cc(NCc2ccc(N3CCC(CO)CC3)cc2)nc[nH+]1 ZINC000301245019 336296428 /nfs/dbraw/zinc/29/64/28/336296428.db2.gz NUWHXSVJWGTXBF-UHFFFAOYSA-N 1 2 312.417 2.606 20 10 DFCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000367694333 336828136 /nfs/dbraw/zinc/82/81/36/336828136.db2.gz QPLOFHXRQFWDNY-CYBMUJFWSA-N 1 2 303.793 2.791 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cccc(Cl)c1O ZINC000367910918 336832255 /nfs/dbraw/zinc/83/22/55/336832255.db2.gz MALFYEYJLBRGFU-CZUORRHYSA-N 1 2 324.852 2.950 20 10 DFCDLO COc1ccc(O)c([C@H](C)[N@@H+]2CCC[C@H]2c2noc(C)n2)c1 ZINC000377657265 337057574 /nfs/dbraw/zinc/05/75/74/337057574.db2.gz ZSDAYKDBQVVJSL-HZMBPMFUSA-N 1 2 303.362 2.990 20 10 DFCDLO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H]2c2noc(C)n2)c1 ZINC000377657265 337057575 /nfs/dbraw/zinc/05/75/75/337057575.db2.gz ZSDAYKDBQVVJSL-HZMBPMFUSA-N 1 2 303.362 2.990 20 10 DFCDLO Oc1ccc(Br)cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000378099605 337066437 /nfs/dbraw/zinc/06/64/37/337066437.db2.gz DYBFPHAGENJAGE-LBPRGKRZSA-N 1 2 322.206 2.525 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000180027731 337173221 /nfs/dbraw/zinc/17/32/21/337173221.db2.gz JAILOVUJYXSNDA-HNNXBMFYSA-N 1 2 324.852 2.732 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000180027731 337173222 /nfs/dbraw/zinc/17/32/22/337173222.db2.gz JAILOVUJYXSNDA-HNNXBMFYSA-N 1 2 324.852 2.732 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCN(c3cccs3)C(=O)C2)c1 ZINC000185669531 337250035 /nfs/dbraw/zinc/25/00/35/337250035.db2.gz FOKIANWAWLZMSV-UHFFFAOYSA-N 1 2 302.399 2.611 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCN(c3cccs3)C(=O)C2)c1 ZINC000185669531 337250036 /nfs/dbraw/zinc/25/00/36/337250036.db2.gz FOKIANWAWLZMSV-UHFFFAOYSA-N 1 2 302.399 2.611 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000191328130 337296097 /nfs/dbraw/zinc/29/60/97/337296097.db2.gz ZCLMZTOXSKUIMX-SNVBAGLBSA-N 1 2 310.760 2.613 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000191328130 337296098 /nfs/dbraw/zinc/29/60/98/337296098.db2.gz ZCLMZTOXSKUIMX-SNVBAGLBSA-N 1 2 310.760 2.613 20 10 DFCDLO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000277709081 337667090 /nfs/dbraw/zinc/66/70/90/337667090.db2.gz INPOAQRMGHURDV-CABZTGNLSA-N 1 2 300.196 2.669 20 10 DFCDLO CCn1ncc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000527923535 337775426 /nfs/dbraw/zinc/77/54/26/337775426.db2.gz KGANFCSZSYOHFX-VIFPVBQESA-N 1 2 314.311 2.873 20 10 DFCDLO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)C(=O)N1CCCC1 ZINC000529683527 340767811 /nfs/dbraw/zinc/76/78/11/340767811.db2.gz ZIMHVLBKCMYCRD-UHFFFAOYSA-N 1 2 310.825 2.784 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000249890924 518286200 /nfs/dbraw/zinc/28/62/00/518286200.db2.gz SUZWHHNOPIFCNH-CVEARBPZSA-N 1 2 307.365 2.877 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000249890924 518286206 /nfs/dbraw/zinc/28/62/06/518286206.db2.gz SUZWHHNOPIFCNH-CVEARBPZSA-N 1 2 307.365 2.877 20 10 DFCDLO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1OC ZINC000179937861 522772847 /nfs/dbraw/zinc/77/28/47/522772847.db2.gz DTZGXLGTLFHMHU-ZDUSSCGKSA-N 1 2 317.389 2.860 20 10 DFCDLO COc1cc(O)c(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1OC ZINC000179937861 522772860 /nfs/dbraw/zinc/77/28/60/522772860.db2.gz DTZGXLGTLFHMHU-ZDUSSCGKSA-N 1 2 317.389 2.860 20 10 DFCDLO COC(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000188676958 522831782 /nfs/dbraw/zinc/83/17/82/522831782.db2.gz PXEUNJANDKHNEW-UHFFFAOYSA-N 1 2 304.173 2.742 20 10 DFCDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000189989354 523828250 /nfs/dbraw/zinc/82/82/50/523828250.db2.gz FZDMWSCMLIVGAD-OAHLLOKOSA-N 1 2 313.781 2.582 20 10 DFCDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000189989354 523828254 /nfs/dbraw/zinc/82/82/54/523828254.db2.gz FZDMWSCMLIVGAD-OAHLLOKOSA-N 1 2 313.781 2.582 20 10 DFCDLO COCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000188826191 524037144 /nfs/dbraw/zinc/03/71/44/524037144.db2.gz DTZVJSPINRKSFY-LBPRGKRZSA-N 1 2 320.216 2.936 20 10 DFCDLO COCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000188826191 524037145 /nfs/dbraw/zinc/03/71/45/524037145.db2.gz DTZVJSPINRKSFY-LBPRGKRZSA-N 1 2 320.216 2.936 20 10 DFCDLO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1C ZINC000267908858 524086135 /nfs/dbraw/zinc/08/61/35/524086135.db2.gz CKPSVXSAKVVRTI-OAHLLOKOSA-N 1 2 317.410 2.622 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000363650476 524404463 /nfs/dbraw/zinc/40/44/63/524404463.db2.gz FSFAJAFCMGDWEZ-SUMWQHHRSA-N 1 2 302.418 2.778 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000180774017 526325432 /nfs/dbraw/zinc/32/54/32/526325432.db2.gz ITHBQIADGYSQGL-LBPRGKRZSA-N 1 2 306.797 2.549 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000180774017 526325437 /nfs/dbraw/zinc/32/54/37/526325437.db2.gz ITHBQIADGYSQGL-LBPRGKRZSA-N 1 2 306.797 2.549 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000180031984 526326935 /nfs/dbraw/zinc/32/69/35/526326935.db2.gz ZHJXJPYETBLTEY-CQSZACIVSA-N 1 2 324.852 2.590 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000180031984 526326941 /nfs/dbraw/zinc/32/69/41/526326941.db2.gz ZHJXJPYETBLTEY-CQSZACIVSA-N 1 2 324.852 2.590 20 10 DFCDLO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(F)c(F)c1O ZINC000281020926 299285080 /nfs/dbraw/zinc/28/50/80/299285080.db2.gz MENWSBIVFOHCHV-GWNMQOMSSA-N 1 2 303.374 2.622 20 10 DFCDLO C[C@@H](N1CC[NH+](Cc2cccc(F)c2O)CC1)C(F)(F)F ZINC000272236737 130010022 /nfs/dbraw/zinc/01/00/22/130010022.db2.gz ACROZLQWNFLHGY-SNVBAGLBSA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CCN1CC(F)(F)F ZINC000272462607 130032973 /nfs/dbraw/zinc/03/29/73/130032973.db2.gz QTKAXFBGUZIFFP-JTQLQIEISA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1CC(F)(F)F ZINC000272462607 130032975 /nfs/dbraw/zinc/03/29/75/130032975.db2.gz QTKAXFBGUZIFFP-JTQLQIEISA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(Cl)c(Cl)c1O ZINC000273296371 130103480 /nfs/dbraw/zinc/10/34/80/130103480.db2.gz AABQXDPXNJKXCC-SSDOTTSWSA-N 1 2 301.177 2.678 20 10 DFCDLO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000275467892 130323457 /nfs/dbraw/zinc/32/34/57/130323457.db2.gz HNQCBPDXVFAXBC-ZFWWWQNUSA-N 1 2 321.808 2.882 20 10 DFCDLO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000275657714 130355536 /nfs/dbraw/zinc/35/55/36/130355536.db2.gz UUHPHGWOGMBMNU-GOEBONIOSA-N 1 2 321.808 2.789 20 10 DFCDLO CC[C@H]([NH2+]CCCN1CCOC1=O)c1cccc(Cl)c1O ZINC000287775225 131299485 /nfs/dbraw/zinc/29/94/85/131299485.db2.gz RUVLVSGBLMZJGI-ZDUSSCGKSA-N 1 2 312.797 2.929 20 10 DFCDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1ccccc1 ZINC000288471920 131326306 /nfs/dbraw/zinc/32/63/06/131326306.db2.gz FUDKEGMOYMSIIN-ZBEGNZNMSA-N 1 2 302.330 2.512 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000288544398 131329808 /nfs/dbraw/zinc/32/98/08/131329808.db2.gz LAGOFQOSXUBEID-CYBMUJFWSA-N 1 2 318.304 2.533 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCCOCC1 ZINC000289478936 131390047 /nfs/dbraw/zinc/39/00/47/131390047.db2.gz QEMDRWAFXKCDFA-UHFFFAOYSA-N 1 2 319.232 2.511 20 10 DFCDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CCO1 ZINC000219916664 542878753 /nfs/dbraw/zinc/87/87/53/542878753.db2.gz DLBRARBYTZDLDA-GXSJLCMTSA-N 1 2 300.196 2.812 20 10 DFCDLO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c(OC)n1 ZINC000290268639 286312048 /nfs/dbraw/zinc/31/20/48/286312048.db2.gz VWYODDMQQIXART-VIFPVBQESA-N 1 2 324.327 2.933 20 10 DFCDLO CC[C@@H]([NH2+][C@@H](CO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287102658 286924426 /nfs/dbraw/zinc/92/44/26/286924426.db2.gz QDOMVXBBFSRXDM-JOYOIKCWSA-N 1 2 308.205 2.747 20 10 DFCDLO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000036933189 425846729 /nfs/dbraw/zinc/84/67/29/425846729.db2.gz WLFRVBGGRHAFHN-JTQLQIEISA-N 1 2 319.232 2.509 20 10 DFCDLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@@H]1c1ccc(OC)cc1O ZINC000078762810 426184883 /nfs/dbraw/zinc/18/48/83/426184883.db2.gz AATYDXKCDQUULI-INIZCTEOSA-N 1 2 318.417 2.944 20 10 DFCDLO Oc1cccc(Cl)c1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000134088043 426185060 /nfs/dbraw/zinc/18/50/60/426185060.db2.gz IKBWMAZYCKCVCW-UHFFFAOYSA-N 1 2 308.731 2.726 20 10 DFCDLO O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2[nH+]ccn2c1 ZINC000174518331 426259879 /nfs/dbraw/zinc/25/98/79/426259879.db2.gz NONOZDIOMXMDAZ-UHFFFAOYSA-N 1 2 321.380 2.849 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000175638038 426318854 /nfs/dbraw/zinc/31/88/54/426318854.db2.gz BDVINNVJYRBNTO-INIZCTEOSA-N 1 2 317.364 2.805 20 10 DFCDLO CC[N@H+](Cc1c[nH]cn1)Cc1cc(Br)ccc1O ZINC000093866956 426359776 /nfs/dbraw/zinc/35/97/76/426359776.db2.gz LLVGKICFPQSRMN-UHFFFAOYSA-N 1 2 310.195 2.900 20 10 DFCDLO CC[N@@H+](Cc1c[nH]cn1)Cc1cc(Br)ccc1O ZINC000093866956 426359777 /nfs/dbraw/zinc/35/97/77/426359777.db2.gz LLVGKICFPQSRMN-UHFFFAOYSA-N 1 2 310.195 2.900 20 10 DFCDLO CC[N@H+](Cc1cnc[nH]1)Cc1cc(Br)ccc1O ZINC000093866956 426359780 /nfs/dbraw/zinc/35/97/80/426359780.db2.gz LLVGKICFPQSRMN-UHFFFAOYSA-N 1 2 310.195 2.900 20 10 DFCDLO CC[N@@H+](Cc1cnc[nH]1)Cc1cc(Br)ccc1O ZINC000093866956 426359783 /nfs/dbraw/zinc/35/97/83/426359783.db2.gz LLVGKICFPQSRMN-UHFFFAOYSA-N 1 2 310.195 2.900 20 10 DFCDLO CC[NH+](CC)[C@H](C)CN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000280099298 426502823 /nfs/dbraw/zinc/50/28/23/426502823.db2.gz MZFSTDPRTFSYKK-CHWSQXEVSA-N 1 2 308.422 2.560 20 10 DFCDLO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000290233546 426722068 /nfs/dbraw/zinc/72/20/68/426722068.db2.gz RYLXAFKZKDYPNM-GGVZMXCHSA-N 1 2 306.189 2.763 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)no1 ZINC000290157449 426704685 /nfs/dbraw/zinc/70/46/85/426704685.db2.gz LSCOQYIAMACXNT-UWVGGRQHSA-N 1 2 309.341 2.863 20 10 DFCDLO C[C@H]([NH2+]Cc1cccc(F)c1O)c1nnc2n1CCCCC2 ZINC000317301716 426956334 /nfs/dbraw/zinc/95/63/34/426956334.db2.gz MOEJEPXJZIQPPQ-NSHDSACASA-N 1 2 304.369 2.700 20 10 DFCDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1F ZINC000276795715 427122400 /nfs/dbraw/zinc/12/24/00/427122400.db2.gz YLDUUNSWKDRRQN-LBPRGKRZSA-N 1 2 305.401 2.651 20 10 DFCDLO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000284290956 427175979 /nfs/dbraw/zinc/17/59/79/427175979.db2.gz BBIRZBJDTOTJGU-ZDUSSCGKSA-N 1 2 310.825 2.926 20 10 DFCDLO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000284290956 427175985 /nfs/dbraw/zinc/17/59/85/427175985.db2.gz BBIRZBJDTOTJGU-ZDUSSCGKSA-N 1 2 310.825 2.926 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000277432252 427200672 /nfs/dbraw/zinc/20/06/72/427200672.db2.gz JORJXGJRPHSUMG-GIGQVBGESA-N 1 2 301.839 2.554 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000277432252 427200679 /nfs/dbraw/zinc/20/06/79/427200679.db2.gz JORJXGJRPHSUMG-GIGQVBGESA-N 1 2 301.839 2.554 20 10 DFCDLO Cn1ncc(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2O)n1 ZINC000292825903 427202527 /nfs/dbraw/zinc/20/25/27/427202527.db2.gz AGMSRGBTKPUVJN-UHFFFAOYSA-N 1 2 315.204 2.550 20 10 DFCDLO COc1cc(Cl)cc(C[N@H+](C)Cc2nncn2C(C)C)c1O ZINC000292807116 427202549 /nfs/dbraw/zinc/20/25/49/427202549.db2.gz OGSZDTYHUPVHRW-UHFFFAOYSA-N 1 2 324.812 2.859 20 10 DFCDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2nncn2C(C)C)c1O ZINC000292807116 427202555 /nfs/dbraw/zinc/20/25/55/427202555.db2.gz OGSZDTYHUPVHRW-UHFFFAOYSA-N 1 2 324.812 2.859 20 10 DFCDLO C[C@@H](CCn1cccn1)[NH2+]Cc1cccc(Br)c1O ZINC000278121787 427409751 /nfs/dbraw/zinc/40/97/51/427409751.db2.gz BCPFRYGANDXUKU-NSHDSACASA-N 1 2 324.222 2.920 20 10 DFCDLO C[C@H](CCn1cccn1)[NH2+]Cc1cccc(Br)c1O ZINC000278121785 427411380 /nfs/dbraw/zinc/41/13/80/427411380.db2.gz BCPFRYGANDXUKU-LLVKDONJSA-N 1 2 324.222 2.920 20 10 DFCDLO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1O ZINC000278820011 427464493 /nfs/dbraw/zinc/46/44/93/427464493.db2.gz OEABVULTWUFAOI-ATEUNZGCSA-N 1 2 320.216 2.890 20 10 DFCDLO COCC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CCOCC1 ZINC000293877236 427474660 /nfs/dbraw/zinc/47/46/60/427474660.db2.gz YOFFWZSXPYRQLQ-NSHDSACASA-N 1 2 315.360 2.764 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@H](O)COC)c1cc(Cl)cc(Cl)c1O ZINC000287021321 427552805 /nfs/dbraw/zinc/55/28/05/427552805.db2.gz LFAYHNYSMFJJFA-BXKDBHETSA-N 1 2 308.205 2.747 20 10 DFCDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cccc(F)c1O)C2 ZINC000370253542 428168295 /nfs/dbraw/zinc/16/82/95/428168295.db2.gz SSMVAOLSNDVOFU-UHFFFAOYSA-N 1 2 303.333 2.935 20 10 DFCDLO COc1ccc2c(c1)OCC[N@H+](Cc1cccc(F)c1O)C2 ZINC000370253542 428168300 /nfs/dbraw/zinc/16/83/00/428168300.db2.gz SSMVAOLSNDVOFU-UHFFFAOYSA-N 1 2 303.333 2.935 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2noc(C)n2)c1 ZINC000374423385 428678869 /nfs/dbraw/zinc/67/88/69/428678869.db2.gz RYQWWKJTAJGARJ-AWEZNQCLSA-N 1 2 303.362 2.819 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2c2noc(C)n2)c1 ZINC000374423385 428678877 /nfs/dbraw/zinc/67/88/77/428678877.db2.gz RYQWWKJTAJGARJ-AWEZNQCLSA-N 1 2 303.362 2.819 20 10 DFCDLO Oc1c(F)cccc1C[N@@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000374899877 428779345 /nfs/dbraw/zinc/77/93/45/428779345.db2.gz TUWXCIQHIUKACK-UHFFFAOYSA-N 1 2 315.270 2.832 20 10 DFCDLO Oc1c(F)cccc1C[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000374899877 428779353 /nfs/dbraw/zinc/77/93/53/428779353.db2.gz TUWXCIQHIUKACK-UHFFFAOYSA-N 1 2 315.270 2.832 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]3CCOC[C@@H]32)cc1F ZINC000366491953 429464570 /nfs/dbraw/zinc/46/45/70/429464570.db2.gz STIBOKXTPZUCAR-ROUUACIJSA-N 1 2 322.424 2.662 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H]3CCOC[C@@H]32)cc1F ZINC000366491953 429464574 /nfs/dbraw/zinc/46/45/74/429464574.db2.gz STIBOKXTPZUCAR-ROUUACIJSA-N 1 2 322.424 2.662 20 10 DFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366517650 429469118 /nfs/dbraw/zinc/46/91/18/429469118.db2.gz GZXDHLGFZVVCMQ-MJGOQNOKSA-N 1 2 311.381 2.944 20 10 DFCDLO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366517650 429469120 /nfs/dbraw/zinc/46/91/20/429469120.db2.gz GZXDHLGFZVVCMQ-MJGOQNOKSA-N 1 2 311.381 2.944 20 10 DFCDLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000367392957 429641020 /nfs/dbraw/zinc/64/10/20/429641020.db2.gz WWNXUIOXYSEXPC-QFYYESIMSA-N 1 2 300.314 2.912 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000369101495 429912843 /nfs/dbraw/zinc/91/28/43/429912843.db2.gz XVWTXOLETYLDLJ-HNNXBMFYSA-N 1 2 321.808 2.714 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000573218786 429937192 /nfs/dbraw/zinc/93/71/92/429937192.db2.gz OZVYBZHFPWEKBK-GFCCVEGCSA-N 1 2 310.401 2.705 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000573218786 429937197 /nfs/dbraw/zinc/93/71/97/429937197.db2.gz OZVYBZHFPWEKBK-GFCCVEGCSA-N 1 2 310.401 2.705 20 10 DFCDLO OC[C@]1([NH2+]Cc2cccc(Cl)c2O)COc2ccccc2C1 ZINC000529644927 430044860 /nfs/dbraw/zinc/04/48/60/430044860.db2.gz RGDPPKWVJGSIIJ-KRWDZBQOSA-N 1 2 319.788 2.501 20 10 DFCDLO [O-]c1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178711 430101846 /nfs/dbraw/zinc/10/18/46/430101846.db2.gz MQYFGAXBNLIIQM-LBPRGKRZSA-N 1 2 311.223 2.529 20 10 DFCDLO Oc1c(Br)cccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178711 430101848 /nfs/dbraw/zinc/10/18/48/430101848.db2.gz MQYFGAXBNLIIQM-LBPRGKRZSA-N 1 2 311.223 2.529 20 10 DFCDLO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000286948217 288037991 /nfs/dbraw/zinc/03/79/91/288037991.db2.gz HGOBCQYZYMKWGP-LBPRGKRZSA-N 1 2 317.838 2.664 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC000284268551 295258006 /nfs/dbraw/zinc/25/80/06/295258006.db2.gz XIXFBKZTWWZYQN-AWEZNQCLSA-N 1 2 323.458 2.663 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCCS(=O)(=O)C1 ZINC000284268551 295258008 /nfs/dbraw/zinc/25/80/08/295258008.db2.gz XIXFBKZTWWZYQN-AWEZNQCLSA-N 1 2 323.458 2.663 20 10 DFCDLO COC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294804893 335127807 /nfs/dbraw/zinc/12/78/07/335127807.db2.gz DOWQEUUIFZLTQF-UHFFFAOYSA-N 1 2 301.745 2.570 20 10 DFCDLO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2c2ccco2)cc1OC ZINC000367740293 333349618 /nfs/dbraw/zinc/34/96/18/333349618.db2.gz KOWYPJSMISJKAS-ZDUSSCGKSA-N 1 2 319.357 2.576 20 10 DFCDLO COc1cc(O)c(C[N@H+]2CCOC[C@H]2c2ccco2)cc1OC ZINC000367740293 333349620 /nfs/dbraw/zinc/34/96/20/333349620.db2.gz KOWYPJSMISJKAS-ZDUSSCGKSA-N 1 2 319.357 2.576 20 10 DFCDLO O=C(NCCC[NH2+]Cc1cc(Cl)c(F)cc1O)C1CCC1 ZINC000293684701 334200693 /nfs/dbraw/zinc/20/06/93/334200693.db2.gz RRQVSMYZHSBHGH-UHFFFAOYSA-N 1 2 314.788 2.581 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1O ZINC000296351046 334232630 /nfs/dbraw/zinc/23/26/30/334232630.db2.gz IHTAAQGHSXMUTB-XVKPBYJWSA-N 1 2 303.189 2.628 20 10 DFCDLO COc1ccc([NH+]2CCC(Nc3nc(C)ns3)CC2)cc1 ZINC000301332833 336301034 /nfs/dbraw/zinc/30/10/34/336301034.db2.gz BQPHZPWDTOXVAG-UHFFFAOYSA-N 1 2 304.419 2.936 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@H](c3nnc[nH]3)c3ccccc3)ccc21 ZINC000375396609 337010371 /nfs/dbraw/zinc/01/03/71/337010371.db2.gz VWVMRTDWUGMUGZ-SFHVURJKSA-N 1 2 319.412 2.676 20 10 DFCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000375470989 337011749 /nfs/dbraw/zinc/01/17/49/337011749.db2.gz RNTRCJSFTLHFSN-KGLIPLIRSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000375470989 337011750 /nfs/dbraw/zinc/01/17/50/337011750.db2.gz RNTRCJSFTLHFSN-KGLIPLIRSA-N 1 2 309.793 2.616 20 10 DFCDLO COc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000377613678 337056231 /nfs/dbraw/zinc/05/62/31/337056231.db2.gz FETQAYSAYZUKAN-YVEFUNNKSA-N 1 2 324.384 2.959 20 10 DFCDLO Oc1c(F)cccc1C[NH+]1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000378530795 337075220 /nfs/dbraw/zinc/07/52/20/337075220.db2.gz FZVOWFNALUWNJE-UHFFFAOYSA-N 1 2 324.359 2.847 20 10 DFCDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191307572 337295742 /nfs/dbraw/zinc/29/57/42/337295742.db2.gz DXZHWFRUGVQBEL-NSHDSACASA-N 1 2 324.787 2.963 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000136014383 337453530 /nfs/dbraw/zinc/45/35/30/337453530.db2.gz RTRQQWCPSQJMGD-CQSZACIVSA-N 1 2 313.401 2.590 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000565033833 341515502 /nfs/dbraw/zinc/51/55/02/341515502.db2.gz FQPDMKBVFNMUHX-AWEZNQCLSA-N 1 2 322.412 2.562 20 10 DFCDLO CCn1cc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000191703015 523466827 /nfs/dbraw/zinc/46/68/27/523466827.db2.gz UVPLLDOMJAWHOH-HNNXBMFYSA-N 1 2 321.808 2.836 20 10 DFCDLO CCn1cc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000191703015 523466832 /nfs/dbraw/zinc/46/68/32/523466832.db2.gz UVPLLDOMJAWHOH-HNNXBMFYSA-N 1 2 321.808 2.836 20 10 DFCDLO CN(C)C(=O)CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180326131 523974445 /nfs/dbraw/zinc/97/44/45/523974445.db2.gz QSATXXVWAFKURT-UHFFFAOYSA-N 1 2 310.825 2.736 20 10 DFCDLO COc1ccc(O)c(C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000182648228 524756535 /nfs/dbraw/zinc/75/65/35/524756535.db2.gz DGHFGGKSMGNTBH-HNNXBMFYSA-N 1 2 309.406 2.857 20 10 DFCDLO Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc[nH+]1 ZINC000190982175 525201730 /nfs/dbraw/zinc/20/17/30/525201730.db2.gz LBTLXGMXMKWPAG-LLVKDONJSA-N 1 2 301.346 2.554 20 10 DFCDLO COC(=O)c1ccc(O)c([C@H](C)NCC[N@H+](C)C2CCCC2)c1 ZINC000273361080 536792516 /nfs/dbraw/zinc/79/25/16/536792516.db2.gz AKPZYESBJMETIW-ZDUSSCGKSA-N 1 2 320.433 2.704 20 10 DFCDLO COC(=O)c1ccc(O)c([C@H](C)NCC[N@@H+](C)C2CCCC2)c1 ZINC000273361080 536792524 /nfs/dbraw/zinc/79/25/24/536792524.db2.gz AKPZYESBJMETIW-ZDUSSCGKSA-N 1 2 320.433 2.704 20 10 DFCDLO COc1ncccc1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000290175524 536900999 /nfs/dbraw/zinc/90/09/99/536900999.db2.gz NBEQQGDXQDCQNF-JTQLQIEISA-N 1 2 308.328 2.967 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831875 185344647 /nfs/dbraw/zinc/34/46/47/185344647.db2.gz QQKSYCRLFQHUTG-OAHLLOKOSA-N 1 2 320.414 2.821 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831875 185344648 /nfs/dbraw/zinc/34/46/48/185344648.db2.gz QQKSYCRLFQHUTG-OAHLLOKOSA-N 1 2 320.414 2.821 20 10 DFCDLO Cc1cnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000072629243 398626139 /nfs/dbraw/zinc/62/61/39/398626139.db2.gz WRGXYPCWYDIDQW-HNNXBMFYSA-N 1 2 302.374 2.870 20 10 DFCDLO Cc1cnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000072629243 398626141 /nfs/dbraw/zinc/62/61/41/398626141.db2.gz WRGXYPCWYDIDQW-HNNXBMFYSA-N 1 2 302.374 2.870 20 10 DFCDLO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)c(Cl)c1O ZINC000186221769 299276537 /nfs/dbraw/zinc/27/65/37/299276537.db2.gz BYBPLHCDSJLICG-ZETCQYMHSA-N 1 2 305.205 2.861 20 10 DFCDLO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(F)c(F)c1O ZINC000191208788 296120704 /nfs/dbraw/zinc/12/07/04/296120704.db2.gz UUIMMHAFWWPYLS-LLVKDONJSA-N 1 2 312.360 2.724 20 10 DFCDLO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273304995 296132100 /nfs/dbraw/zinc/13/21/00/296132100.db2.gz CMYPHBGTKRVBPP-HWPZZCPQSA-N 1 2 320.320 2.824 20 10 DFCDLO COC(=O)c1cc(C[N@H+](C)Cc2cccc(F)c2O)oc1C ZINC000272325816 130021104 /nfs/dbraw/zinc/02/11/04/130021104.db2.gz VHQJIGZHCCLDEZ-UHFFFAOYSA-N 1 2 307.321 2.851 20 10 DFCDLO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(F)c2O)oc1C ZINC000272325816 130021105 /nfs/dbraw/zinc/02/11/05/130021105.db2.gz VHQJIGZHCCLDEZ-UHFFFAOYSA-N 1 2 307.321 2.851 20 10 DFCDLO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273398375 130117102 /nfs/dbraw/zinc/11/71/02/130117102.db2.gz MMXWGZQLQHDMSD-SJCJKPOMSA-N 1 2 316.357 2.993 20 10 DFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nnc(C)s2)c1 ZINC000274197354 130215181 /nfs/dbraw/zinc/21/51/81/130215181.db2.gz KWIHILGIHZWRFX-DTWKUNHWSA-N 1 2 321.402 2.751 20 10 DFCDLO CCOc1ccc([N@H+](CC)C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000284293364 131067743 /nfs/dbraw/zinc/06/77/43/131067743.db2.gz YTGSYPULYBALOS-AWEZNQCLSA-N 1 2 311.447 2.736 20 10 DFCDLO CCOc1ccc([N@@H+](CC)C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000284293364 131067745 /nfs/dbraw/zinc/06/77/45/131067745.db2.gz YTGSYPULYBALOS-AWEZNQCLSA-N 1 2 311.447 2.736 20 10 DFCDLO CC[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc(Cl)c1O ZINC000287868629 131303445 /nfs/dbraw/zinc/30/34/45/131303445.db2.gz XUGRVGADCDCHLO-JSGCOSHPSA-N 1 2 301.839 2.954 20 10 DFCDLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273437620 285576845 /nfs/dbraw/zinc/57/68/45/285576845.db2.gz XOGSHISVBKUUKB-SFYZADRCSA-N 1 2 305.205 2.874 20 10 DFCDLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@@H]1c1cc(OC)ccc1O ZINC000078761916 426184630 /nfs/dbraw/zinc/18/46/30/426184630.db2.gz TYAUXVSCAUNSGC-INIZCTEOSA-N 1 2 318.417 2.944 20 10 DFCDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000174476860 426258217 /nfs/dbraw/zinc/25/82/17/426258217.db2.gz CQQCGQWFYAQFJP-AWEZNQCLSA-N 1 2 320.345 2.933 20 10 DFCDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCNC1=O ZINC000123916281 426461258 /nfs/dbraw/zinc/46/12/58/426461258.db2.gz AGCZWPFKLXJYEA-LBPRGKRZSA-N 1 2 317.216 2.800 20 10 DFCDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@H]1CCCCNC1=O ZINC000123916281 426461260 /nfs/dbraw/zinc/46/12/60/426461260.db2.gz AGCZWPFKLXJYEA-LBPRGKRZSA-N 1 2 317.216 2.800 20 10 DFCDLO CCc1nnc([C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)o1 ZINC000280429522 426573756 /nfs/dbraw/zinc/57/37/56/426573756.db2.gz JJFAYCMFSFIRMT-CYBMUJFWSA-N 1 2 323.780 2.565 20 10 DFCDLO CCc1nnc([C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)o1 ZINC000280429522 426573761 /nfs/dbraw/zinc/57/37/61/426573761.db2.gz JJFAYCMFSFIRMT-CYBMUJFWSA-N 1 2 323.780 2.565 20 10 DFCDLO CCCC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)OC ZINC000187390065 426654627 /nfs/dbraw/zinc/65/46/27/426654627.db2.gz HQVGJJSALWELFC-LBPRGKRZSA-N 1 2 315.797 2.876 20 10 DFCDLO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000187702526 426687662 /nfs/dbraw/zinc/68/76/62/426687662.db2.gz BEVBWLAYYAAIGV-DGCLKSJQSA-N 1 2 307.340 2.925 20 10 DFCDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000281289891 426709132 /nfs/dbraw/zinc/70/91/32/426709132.db2.gz JEQWZGSBJNBALR-SNVBAGLBSA-N 1 2 311.353 2.507 20 10 DFCDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000281289891 426709135 /nfs/dbraw/zinc/70/91/35/426709135.db2.gz JEQWZGSBJNBALR-SNVBAGLBSA-N 1 2 311.353 2.507 20 10 DFCDLO CCOC(=O)[C@@H]([NH2+]Cc1cccc(OCC)c1O)[C@@H](C)CC ZINC000187866409 426701616 /nfs/dbraw/zinc/70/16/16/426701616.db2.gz HZQMHPYYRUDKID-WFASDCNBSA-N 1 2 309.406 2.858 20 10 DFCDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692104 426811990 /nfs/dbraw/zinc/81/19/90/426811990.db2.gz MYMJTXUQJHQIOE-GFCCVEGCSA-N 1 2 312.797 2.756 20 10 DFCDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692104 426811995 /nfs/dbraw/zinc/81/19/95/426811995.db2.gz MYMJTXUQJHQIOE-GFCCVEGCSA-N 1 2 312.797 2.756 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(F)c(F)c1O ZINC000283190771 426971121 /nfs/dbraw/zinc/97/11/21/426971121.db2.gz KOQJJJJRBMXSHL-CABZTGNLSA-N 1 2 310.344 2.522 20 10 DFCDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1F ZINC000275864009 426937825 /nfs/dbraw/zinc/93/78/25/426937825.db2.gz UKKSXLBOKWVLRN-LBPRGKRZSA-N 1 2 305.401 2.651 20 10 DFCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(F)c(F)c1O ZINC000276933611 427126528 /nfs/dbraw/zinc/12/65/28/427126528.db2.gz ONRFZJVGVMVZAJ-SNVBAGLBSA-N 1 2 307.344 2.982 20 10 DFCDLO CCC[C@](C)([NH2+]Cc1cc(Cl)cc(OC)c1O)C(=O)OC ZINC000184048137 427382219 /nfs/dbraw/zinc/38/22/19/427382219.db2.gz JWELBGYIGMIEDD-HNNXBMFYSA-N 1 2 315.797 2.876 20 10 DFCDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271083172 427398942 /nfs/dbraw/zinc/39/89/42/427398942.db2.gz JSYIRCXVPSRVJT-MRVPVSSYSA-N 1 2 304.173 2.694 20 10 DFCDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000271083172 427398950 /nfs/dbraw/zinc/39/89/50/427398950.db2.gz JSYIRCXVPSRVJT-MRVPVSSYSA-N 1 2 304.173 2.694 20 10 DFCDLO CCOc1cccc(C[N@H+](C)Cc2nc([C@H](C)OC)no2)c1O ZINC000271219009 427455922 /nfs/dbraw/zinc/45/59/22/427455922.db2.gz OEGFGGJMXMHKCP-NSHDSACASA-N 1 2 321.377 2.513 20 10 DFCDLO CCOc1cccc(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)c1O ZINC000271219009 427455929 /nfs/dbraw/zinc/45/59/29/427455929.db2.gz OEGFGGJMXMHKCP-NSHDSACASA-N 1 2 321.377 2.513 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000271218413 427455947 /nfs/dbraw/zinc/45/59/47/427455947.db2.gz YCRMMFXTRFYQHZ-PZPWOCDFSA-N 1 2 308.491 2.874 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000271218413 427455953 /nfs/dbraw/zinc/45/59/53/427455953.db2.gz YCRMMFXTRFYQHZ-PZPWOCDFSA-N 1 2 308.491 2.874 20 10 DFCDLO CCOc1cccc(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)c1O ZINC000271219006 427457183 /nfs/dbraw/zinc/45/71/83/427457183.db2.gz OEGFGGJMXMHKCP-LLVKDONJSA-N 1 2 321.377 2.513 20 10 DFCDLO CCOc1cccc(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)c1O ZINC000271219006 427457189 /nfs/dbraw/zinc/45/71/89/427457189.db2.gz OEGFGGJMXMHKCP-LLVKDONJSA-N 1 2 321.377 2.513 20 10 DFCDLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000271555398 427582138 /nfs/dbraw/zinc/58/21/38/427582138.db2.gz WOVHMTULYLCJMV-LBPRGKRZSA-N 1 2 318.396 2.545 20 10 DFCDLO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC000271815756 427587021 /nfs/dbraw/zinc/58/70/21/427587021.db2.gz LXAAVHISXRZRPP-AWEZNQCLSA-N 1 2 309.768 2.878 20 10 DFCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cccc(Cl)c2O)n1 ZINC000271868729 427591156 /nfs/dbraw/zinc/59/11/56/427591156.db2.gz RSCBVMJUFFSSTO-VIFPVBQESA-N 1 2 311.769 2.768 20 10 DFCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cccc(Cl)c2O)n1 ZINC000271868729 427591160 /nfs/dbraw/zinc/59/11/60/427591160.db2.gz RSCBVMJUFFSSTO-VIFPVBQESA-N 1 2 311.769 2.768 20 10 DFCDLO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)C(C)C)CC2)c1O ZINC000271861700 427591645 /nfs/dbraw/zinc/59/16/45/427591645.db2.gz YXRIJUNMWOVGAL-UHFFFAOYSA-N 1 2 310.825 2.654 20 10 DFCDLO CCn1nc(C)c(C[N@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC000294580229 427645853 /nfs/dbraw/zinc/64/58/53/427645853.db2.gz QCMDFASUNLCITF-UHFFFAOYSA-N 1 2 301.438 2.695 20 10 DFCDLO CCn1nc(C)c(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC000294580229 427645862 /nfs/dbraw/zinc/64/58/62/427645862.db2.gz QCMDFASUNLCITF-UHFFFAOYSA-N 1 2 301.438 2.695 20 10 DFCDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000294858317 427661863 /nfs/dbraw/zinc/66/18/63/427661863.db2.gz SVHFIBGKLPHZDL-GFCCVEGCSA-N 1 2 312.797 2.708 20 10 DFCDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000294858317 427661867 /nfs/dbraw/zinc/66/18/67/427661867.db2.gz SVHFIBGKLPHZDL-GFCCVEGCSA-N 1 2 312.797 2.708 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000185502988 427662642 /nfs/dbraw/zinc/66/26/42/427662642.db2.gz SYEDITFVZJQZHG-IUCAKERBSA-N 1 2 317.216 2.970 20 10 DFCDLO C[C@@H]1CN(CC[N@H+](C)Cc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000193397288 427688800 /nfs/dbraw/zinc/68/88/00/427688800.db2.gz WAIAZWOBTXXLCM-BETUJISGSA-N 1 2 312.841 2.587 20 10 DFCDLO C[C@@H]1CN(CC[N@@H+](C)Cc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000193397288 427688803 /nfs/dbraw/zinc/68/88/03/427688803.db2.gz WAIAZWOBTXXLCM-BETUJISGSA-N 1 2 312.841 2.587 20 10 DFCDLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(F)c1O ZINC000272280856 427696766 /nfs/dbraw/zinc/69/67/66/427696766.db2.gz MQDSXJDETUCBQT-INIZCTEOSA-N 1 2 315.344 2.804 20 10 DFCDLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(F)c1O ZINC000272280856 427696770 /nfs/dbraw/zinc/69/67/70/427696770.db2.gz MQDSXJDETUCBQT-INIZCTEOSA-N 1 2 315.344 2.804 20 10 DFCDLO CN(C)c1ccc(CNc2cccc(-n3cc[nH+]c3)n2)cc1F ZINC000370746791 428288384 /nfs/dbraw/zinc/28/83/84/428288384.db2.gz HYGDDFTZWZDUPS-UHFFFAOYSA-N 1 2 311.364 3.085 20 10 DFCDLO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)n1 ZINC000371423850 428389423 /nfs/dbraw/zinc/38/94/23/428389423.db2.gz DXMAAQNVKAHQFW-AWEZNQCLSA-N 1 2 320.824 2.919 20 10 DFCDLO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)n1 ZINC000371423850 428389424 /nfs/dbraw/zinc/38/94/24/428389424.db2.gz DXMAAQNVKAHQFW-AWEZNQCLSA-N 1 2 320.824 2.919 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000371473000 428391129 /nfs/dbraw/zinc/39/11/29/428391129.db2.gz JQWNLPLBFFYERO-CZUORRHYSA-N 1 2 324.852 2.588 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000371473000 428391136 /nfs/dbraw/zinc/39/11/36/428391136.db2.gz JQWNLPLBFFYERO-CZUORRHYSA-N 1 2 324.852 2.588 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2F)c1 ZINC000371801249 428405465 /nfs/dbraw/zinc/40/54/65/428405465.db2.gz FQAWQDSFTUNKMR-KRWDZBQOSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2F)c1 ZINC000371801249 428405472 /nfs/dbraw/zinc/40/54/72/428405472.db2.gz FQAWQDSFTUNKMR-KRWDZBQOSA-N 1 2 314.360 2.513 20 10 DFCDLO CC(C)OC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000372115794 428414498 /nfs/dbraw/zinc/41/44/98/428414498.db2.gz GFMNXXOKXLPUGL-HNNXBMFYSA-N 1 2 310.413 2.518 20 10 DFCDLO CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000372115794 428414504 /nfs/dbraw/zinc/41/45/04/428414504.db2.gz GFMNXXOKXLPUGL-HNNXBMFYSA-N 1 2 310.413 2.518 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)COC(C)C)CC2)cc1 ZINC000363631832 428957133 /nfs/dbraw/zinc/95/71/33/428957133.db2.gz SMGUUKVOYZSHIZ-UHFFFAOYSA-N 1 2 320.433 2.547 20 10 DFCDLO O=C(/C=C\c1cnccn1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000492084095 429464027 /nfs/dbraw/zinc/46/40/27/429464027.db2.gz ADCOIXRAGAWPAK-PLNGDYQASA-N 1 2 323.331 2.585 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCOc3cccc(F)c3C1)OCO2 ZINC000367172151 429589725 /nfs/dbraw/zinc/58/97/25/429589725.db2.gz MIKMJZZOUJTFOK-UHFFFAOYSA-N 1 2 317.316 2.655 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCOc3cccc(F)c3C1)OCO2 ZINC000367172151 429589731 /nfs/dbraw/zinc/58/97/31/429589731.db2.gz MIKMJZZOUJTFOK-UHFFFAOYSA-N 1 2 317.316 2.655 20 10 DFCDLO C[C@@H]([NH2+]CC1COC1)c1cc(Br)cc(F)c1O ZINC000528027504 429838501 /nfs/dbraw/zinc/83/85/01/429838501.db2.gz UHGJKDLELVUKDR-SSDOTTSWSA-N 1 2 304.159 2.591 20 10 DFCDLO CN(C)c1ccc(CN2CCn3c[nH+]cc3C2)c(C(F)(F)F)c1 ZINC000291667384 276883224 /nfs/dbraw/zinc/88/32/24/276883224.db2.gz VYVSRRFMRMYOLC-UHFFFAOYSA-N 1 2 324.350 2.984 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000568766897 430391677 /nfs/dbraw/zinc/39/16/77/430391677.db2.gz IFKQESVPYZDCJB-ZDUSSCGKSA-N 1 2 310.401 2.951 20 10 DFCDLO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)[C@H](O)C(F)(F)F ZINC000273452899 288080557 /nfs/dbraw/zinc/08/05/57/288080557.db2.gz GNHLVISKZDPCOM-VHRDEZTHSA-N 1 2 322.283 2.653 20 10 DFCDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000273466488 334047584 /nfs/dbraw/zinc/04/75/84/334047584.db2.gz IYVMKYMXEBBSTL-ZJUUUORDSA-N 1 2 319.365 2.954 20 10 DFCDLO Cc1cc(NCCc2ccc(O)c(O)c2)nc(-c2cccnc2)[nH+]1 ZINC000301500639 336310724 /nfs/dbraw/zinc/31/07/24/336310724.db2.gz ASJJRTVDJZTTBZ-UHFFFAOYSA-N 1 2 322.368 2.913 20 10 DFCDLO O=S1(=O)C[C@H]([NH2+]Cc2cc(Cl)ccc2O)c2ccccc21 ZINC000370354577 336882957 /nfs/dbraw/zinc/88/29/57/336882957.db2.gz DZNGRPLKWCWCBF-ZDUSSCGKSA-N 1 2 323.801 2.664 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000375451752 337011337 /nfs/dbraw/zinc/01/13/37/337011337.db2.gz ZECGWBGHARKKRN-UHFFFAOYSA-N 1 2 310.760 2.682 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000375451752 337011338 /nfs/dbraw/zinc/01/13/38/337011338.db2.gz ZECGWBGHARKKRN-UHFFFAOYSA-N 1 2 310.760 2.682 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)c1O ZINC000376660628 337039248 /nfs/dbraw/zinc/03/92/48/337039248.db2.gz ZEDAQQFPUPJHAK-JEOXALJRSA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)c1O ZINC000376660628 337039249 /nfs/dbraw/zinc/03/92/49/337039249.db2.gz ZEDAQQFPUPJHAK-JEOXALJRSA-N 1 2 301.839 2.697 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NC3CCC3)CC2)cc1 ZINC000376774983 337040810 /nfs/dbraw/zinc/04/08/10/337040810.db2.gz ZTNNJUBRZFHHMF-UHFFFAOYSA-N 1 2 317.433 2.858 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1CN1CC[NH+]2CCC1CC2 ZINC000377703583 337059100 /nfs/dbraw/zinc/05/91/00/337059100.db2.gz VFMUNQRCJBMIHR-UHFFFAOYSA-N 1 2 301.217 2.979 20 10 DFCDLO Cn1cc([C@]2(C)C[N@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000378441828 337072784 /nfs/dbraw/zinc/07/27/84/337072784.db2.gz IJJBQZUBEVOPDF-INIZCTEOSA-N 1 2 321.808 2.527 20 10 DFCDLO Cn1cc([C@]2(C)C[N@@H+](Cc3cccc(Cl)c3O)CCO2)cn1 ZINC000378441828 337072785 /nfs/dbraw/zinc/07/27/85/337072785.db2.gz IJJBQZUBEVOPDF-INIZCTEOSA-N 1 2 321.808 2.527 20 10 DFCDLO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(F)c(F)c1O ZINC000187723314 337269511 /nfs/dbraw/zinc/26/95/11/337269511.db2.gz UOKGTFOUUJDYFC-JNHRWOMLSA-N 1 2 305.324 2.979 20 10 DFCDLO CCOC(=O)[C@H]([NH2+]Cc1cccc(OCC)c1O)[C@@H](C)CC ZINC000187866465 521270815 /nfs/dbraw/zinc/27/08/15/521270815.db2.gz HZQMHPYYRUDKID-SWLSCSKDSA-N 1 2 309.406 2.858 20 10 DFCDLO CCOc1cccc(C[NH2+][C@@H](C)C(=O)OC2CCCC2)c1O ZINC000236953951 521367000 /nfs/dbraw/zinc/36/70/00/521367000.db2.gz MNECAKDNOIQCEE-LBPRGKRZSA-N 1 2 307.390 2.755 20 10 DFCDLO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc(F)c(F)c1O ZINC000191188984 525342196 /nfs/dbraw/zinc/34/21/96/525342196.db2.gz CQYOCVIITIBKCK-RYUDHWBXSA-N 1 2 315.360 2.907 20 10 DFCDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180155992 526133993 /nfs/dbraw/zinc/13/39/93/526133993.db2.gz OIIOWLKSYHNFHM-CQSZACIVSA-N 1 2 315.392 2.805 20 10 DFCDLO COC(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294472304 536412008 /nfs/dbraw/zinc/41/20/08/536412008.db2.gz ZNPUHLCLGDJYFR-UHFFFAOYSA-N 1 2 316.760 2.505 20 10 DFCDLO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273542885 299349714 /nfs/dbraw/zinc/34/97/14/299349714.db2.gz YQEGVRFCYZQLCV-BONVTDFDSA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000273388055 130116177 /nfs/dbraw/zinc/11/61/77/130116177.db2.gz KBYWLHRQCJVRFX-NSHDSACASA-N 1 2 316.361 2.612 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1O ZINC000273406705 130116989 /nfs/dbraw/zinc/11/69/89/130116989.db2.gz ONOZPHIPYMEICZ-QMTHXVAHSA-N 1 2 316.361 2.762 20 10 DFCDLO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273587903 130139734 /nfs/dbraw/zinc/13/97/34/130139734.db2.gz OHKUGYPWOSWLFQ-OTYXRUKQSA-N 1 2 308.359 2.746 20 10 DFCDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2nnc(C)s2)c1O ZINC000273594949 130141777 /nfs/dbraw/zinc/14/17/77/130141777.db2.gz KAFBEBGSUKTZPV-ZETCQYMHSA-N 1 2 309.366 2.745 20 10 DFCDLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273617377 130145804 /nfs/dbraw/zinc/14/58/04/130145804.db2.gz XUGMKHTYPPYTID-IAQYHMDHSA-N 1 2 302.330 2.685 20 10 DFCDLO Cn1cncc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCO1 ZINC000275688992 130363155 /nfs/dbraw/zinc/36/31/55/130363155.db2.gz WWKZFDYNABPPKU-WFASDCNBSA-N 1 2 321.808 2.789 20 10 DFCDLO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)cc(Cl)c1O ZINC000287752266 131299214 /nfs/dbraw/zinc/29/92/14/131299214.db2.gz QJMBOZVGZKRFSP-JSGCOSHPSA-N 1 2 320.216 2.891 20 10 DFCDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1O ZINC000297319162 132009783 /nfs/dbraw/zinc/00/97/83/132009783.db2.gz NFQGKOKENIRHMJ-GXTWGEPZSA-N 1 2 319.792 2.708 20 10 DFCDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1O ZINC000297319166 132009822 /nfs/dbraw/zinc/00/98/22/132009822.db2.gz NFQGKOKENIRHMJ-JSGCOSHPSA-N 1 2 319.792 2.708 20 10 DFCDLO C[C@@H]([NH2+]Cc1cn2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000273588392 287041942 /nfs/dbraw/zinc/04/19/42/287041942.db2.gz OMDILZSOIMOSNB-LLVKDONJSA-N 1 2 316.361 2.684 20 10 DFCDLO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(Cl)c1O ZINC000133286769 426172803 /nfs/dbraw/zinc/17/28/03/426172803.db2.gz ZBODWOJXBZIJQZ-UHFFFAOYSA-N 1 2 305.205 2.657 20 10 DFCDLO CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(Cl)c1O ZINC000133286769 426172805 /nfs/dbraw/zinc/17/28/05/426172805.db2.gz ZBODWOJXBZIJQZ-UHFFFAOYSA-N 1 2 305.205 2.657 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000171573199 426196515 /nfs/dbraw/zinc/19/65/15/426196515.db2.gz BQUUFGWBWNIZFU-UHFFFAOYSA-N 1 2 323.440 2.727 20 10 DFCDLO Oc1cccc(Cl)c1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000121958332 426356299 /nfs/dbraw/zinc/35/62/99/426356299.db2.gz DSRVVLYOPHMCIA-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO Oc1cccc(Cl)c1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000121958332 426356302 /nfs/dbraw/zinc/35/63/02/426356302.db2.gz DSRVVLYOPHMCIA-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO COCC[N@H+](Cc1ccco1)Cc1cc(F)cc(C(C)=O)c1O ZINC000177251963 426460864 /nfs/dbraw/zinc/46/08/64/426460864.db2.gz SQEGGTRONGSAKD-UHFFFAOYSA-N 1 2 321.348 2.976 20 10 DFCDLO COCC[N@@H+](Cc1ccco1)Cc1cc(F)cc(C(C)=O)c1O ZINC000177251963 426460866 /nfs/dbraw/zinc/46/08/66/426460866.db2.gz SQEGGTRONGSAKD-UHFFFAOYSA-N 1 2 321.348 2.976 20 10 DFCDLO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1O ZINC000186178672 426491366 /nfs/dbraw/zinc/49/13/66/426491366.db2.gz BSOOCWOZYJXGOP-OQPBUACISA-N 1 2 306.189 2.501 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000227439345 426626550 /nfs/dbraw/zinc/62/65/50/426626550.db2.gz OFDSPCWDAMVOJV-QMMMGPOBSA-N 1 2 304.095 2.712 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)no1 ZINC000290157451 426704732 /nfs/dbraw/zinc/70/47/32/426704732.db2.gz LSCOQYIAMACXNT-VHSXEESVSA-N 1 2 309.341 2.863 20 10 DFCDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692118 426811784 /nfs/dbraw/zinc/81/17/84/426811784.db2.gz MYMJTXUQJHQIOE-LBPRGKRZSA-N 1 2 312.797 2.756 20 10 DFCDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179692118 426811788 /nfs/dbraw/zinc/81/17/88/426811788.db2.gz MYMJTXUQJHQIOE-LBPRGKRZSA-N 1 2 312.797 2.756 20 10 DFCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000267116810 426827500 /nfs/dbraw/zinc/82/75/00/426827500.db2.gz SNEYTLJAJFSKBV-LBPRGKRZSA-N 1 2 305.378 2.731 20 10 DFCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000267116810 426827503 /nfs/dbraw/zinc/82/75/03/426827503.db2.gz SNEYTLJAJFSKBV-LBPRGKRZSA-N 1 2 305.378 2.731 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC000290902066 426864910 /nfs/dbraw/zinc/86/49/10/426864910.db2.gz MEMJYRZTDLKQSW-LBPRGKRZSA-N 1 2 305.378 2.774 20 10 DFCDLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCOc2ccccc21 ZINC000282277105 426869610 /nfs/dbraw/zinc/86/96/10/426869610.db2.gz KUXZTVSXYPMCQW-KRWDZBQOSA-N 1 2 319.788 2.806 20 10 DFCDLO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000283082899 426948248 /nfs/dbraw/zinc/94/82/48/426948248.db2.gz VUXAHPCZYXKCHK-KRWDZBQOSA-N 1 2 316.357 2.740 20 10 DFCDLO Cc1cc(N2CCC([NH2+]Cc3cccc(Cl)c3O)CC2)n[nH]1 ZINC000276099914 426984648 /nfs/dbraw/zinc/98/46/48/426984648.db2.gz WLLNALQQMWHRQL-UHFFFAOYSA-N 1 2 320.824 2.836 20 10 DFCDLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1F ZINC000275864007 426938134 /nfs/dbraw/zinc/93/81/34/426938134.db2.gz UKKSXLBOKWVLRN-GFCCVEGCSA-N 1 2 305.401 2.651 20 10 DFCDLO COCc1n[nH]c([C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2O)n1 ZINC000296171486 427101464 /nfs/dbraw/zinc/10/14/64/427101464.db2.gz XHIUYLROLAXBEW-AWEZNQCLSA-N 1 2 316.405 2.692 20 10 DFCDLO COCc1n[nH]c([C@@H]2CCCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000296171486 427101471 /nfs/dbraw/zinc/10/14/71/427101471.db2.gz XHIUYLROLAXBEW-AWEZNQCLSA-N 1 2 316.405 2.692 20 10 DFCDLO CC(C)n1cnnc1C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000292677119 427197116 /nfs/dbraw/zinc/19/71/16/427197116.db2.gz AJHMKTUFFCUVID-UHFFFAOYSA-N 1 2 305.401 2.696 20 10 DFCDLO CC(C)n1cnnc1C[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000292677119 427197124 /nfs/dbraw/zinc/19/71/24/427197124.db2.gz AJHMKTUFFCUVID-UHFFFAOYSA-N 1 2 305.401 2.696 20 10 DFCDLO CC[C@](C)([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)C(=O)OC ZINC000293066997 427212708 /nfs/dbraw/zinc/21/27/08/427212708.db2.gz GTNZQTHFCWZCAI-HNNXBMFYSA-N 1 2 313.781 2.680 20 10 DFCDLO C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000285531763 427263515 /nfs/dbraw/zinc/26/35/15/427263515.db2.gz PFFJKFBZJGPVMM-GZMMTYOYSA-N 1 2 302.237 2.996 20 10 DFCDLO COc1c(O)c(C[N@@H+]2CCn3cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000278305008 427426346 /nfs/dbraw/zinc/42/63/46/427426346.db2.gz WGXJWGJPCNRABL-LLVKDONJSA-N 1 2 317.345 2.687 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCn3cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000278305008 427426353 /nfs/dbraw/zinc/42/63/53/427426353.db2.gz WGXJWGJPCNRABL-LLVKDONJSA-N 1 2 317.345 2.687 20 10 DFCDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)[nH]1 ZINC000294133177 427561710 /nfs/dbraw/zinc/56/17/10/427561710.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)[nH]1 ZINC000294133177 427561717 /nfs/dbraw/zinc/56/17/17/427561717.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000294133177 427561724 /nfs/dbraw/zinc/56/17/24/427561724.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000294133177 427561732 /nfs/dbraw/zinc/56/17/32/427561732.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n[nH]1 ZINC000294133177 427561740 /nfs/dbraw/zinc/56/17/40/427561740.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 1 2 324.787 2.991 20 10 DFCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n[nH]1 ZINC000294133177 427561748 /nfs/dbraw/zinc/56/17/48/427561748.db2.gz HAQUGNRQPUZBQE-SNVBAGLBSA-N 1 2 324.787 2.991 20 10 DFCDLO CC(=O)NC1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294180236 427575963 /nfs/dbraw/zinc/57/59/63/427575963.db2.gz JRAPDLZHWNQPPL-UHFFFAOYSA-N 1 2 314.788 2.722 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000294674987 427648524 /nfs/dbraw/zinc/64/85/24/427648524.db2.gz BBMUVDSWMDPTJO-HNNXBMFYSA-N 1 2 301.390 2.717 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1 ZINC000294674987 427648530 /nfs/dbraw/zinc/64/85/30/427648530.db2.gz BBMUVDSWMDPTJO-HNNXBMFYSA-N 1 2 301.390 2.717 20 10 DFCDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)c(Cl)cc1O ZINC000193066256 427659786 /nfs/dbraw/zinc/65/97/86/427659786.db2.gz PRKQYHFYSYDRBV-ZETCQYMHSA-N 1 2 301.177 2.678 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369672125 428030652 /nfs/dbraw/zinc/03/06/52/428030652.db2.gz XWPSSCBCOCETMP-UHFFFAOYSA-N 1 2 319.792 2.879 20 10 DFCDLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000371472998 428391792 /nfs/dbraw/zinc/39/17/92/428391792.db2.gz JQWNLPLBFFYERO-BBRMVZONSA-N 1 2 324.852 2.588 20 10 DFCDLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000371472998 428391797 /nfs/dbraw/zinc/39/17/97/428391797.db2.gz JQWNLPLBFFYERO-BBRMVZONSA-N 1 2 324.852 2.588 20 10 DFCDLO CC(C)c1nc([C@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)no1 ZINC000371532984 428395940 /nfs/dbraw/zinc/39/59/40/428395940.db2.gz CNDFJDJIPHGVID-CYBMUJFWSA-N 1 2 321.352 2.611 20 10 DFCDLO CC(C)c1nc([C@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)no1 ZINC000371532984 428395945 /nfs/dbraw/zinc/39/59/45/428395945.db2.gz CNDFJDJIPHGVID-CYBMUJFWSA-N 1 2 321.352 2.611 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372128995 428416869 /nfs/dbraw/zinc/41/68/69/428416869.db2.gz RSQAIQBSFDASRP-UHFFFAOYSA-N 1 2 311.809 2.817 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000372128995 428416874 /nfs/dbraw/zinc/41/68/74/428416874.db2.gz RSQAIQBSFDASRP-UHFFFAOYSA-N 1 2 311.809 2.817 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@H](c3ncc[nH]3)c3cccnc3)ccc21 ZINC000366428710 429450818 /nfs/dbraw/zinc/45/08/18/429450818.db2.gz IXPSDWBBFMPELA-SFHVURJKSA-N 1 2 319.412 2.676 20 10 DFCDLO COCCCC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000368851464 429898869 /nfs/dbraw/zinc/89/88/69/429898869.db2.gz QPPSJHMWIQAQNR-UHFFFAOYSA-N 1 2 320.433 2.549 20 10 DFCDLO CCc1nnc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)o1 ZINC000369291242 429922699 /nfs/dbraw/zinc/92/26/99/429922699.db2.gz XHMVFDHSSFECGI-CYBMUJFWSA-N 1 2 323.780 2.565 20 10 DFCDLO CCc1nnc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)o1 ZINC000369291242 429922700 /nfs/dbraw/zinc/92/27/00/429922700.db2.gz XHMVFDHSSFECGI-CYBMUJFWSA-N 1 2 323.780 2.565 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc(Cl)c1O ZINC000287892035 288043430 /nfs/dbraw/zinc/04/34/30/288043430.db2.gz ZAOKJJJTKYDHER-DOMZBBRYSA-N 1 2 312.841 2.807 20 10 DFCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287870377 288064547 /nfs/dbraw/zinc/06/45/47/288064547.db2.gz XWQBPYIPPKUCRX-SKDRFNHKSA-N 1 2 317.216 2.970 20 10 DFCDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185682519 288635314 /nfs/dbraw/zinc/63/53/14/288635314.db2.gz BXCVKEKLSQETQK-ZWNOBZJWSA-N 1 2 304.369 2.871 20 10 DFCDLO COC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)[C@@H]1CCCO1 ZINC000278849637 293157405 /nfs/dbraw/zinc/15/74/05/293157405.db2.gz QHIHAWKUKDCGLG-XDTLVQLUSA-N 1 2 301.333 2.515 20 10 DFCDLO Cc1c([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cnn1C ZINC000273391246 301004622 /nfs/dbraw/zinc/00/46/22/301004622.db2.gz KVEITPDCZLYSMB-ZJUUUORDSA-N 1 2 304.350 2.754 20 10 DFCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000184700626 333200860 /nfs/dbraw/zinc/20/08/60/333200860.db2.gz GTRJADPPJLEDRH-LBPRGKRZSA-N 1 2 322.796 2.520 20 10 DFCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000184700626 333200861 /nfs/dbraw/zinc/20/08/61/333200861.db2.gz GTRJADPPJLEDRH-LBPRGKRZSA-N 1 2 322.796 2.520 20 10 DFCDLO C[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273462051 334047155 /nfs/dbraw/zinc/04/71/55/334047155.db2.gz CTSXNVGWYQSUSQ-ZUZCIYMTSA-N 1 2 322.386 2.920 20 10 DFCDLO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000125501959 334802919 /nfs/dbraw/zinc/80/29/19/334802919.db2.gz QFERIEDXAWSNAK-DCXZOGHSSA-N 1 2 310.246 2.946 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(F)(F)F)CC2)cc1 ZINC000362828298 336812761 /nfs/dbraw/zinc/81/27/61/336812761.db2.gz DJZWYOKNXHDVKQ-UHFFFAOYSA-N 1 2 316.323 2.685 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cccc(Cl)c1O ZINC000367910917 336832268 /nfs/dbraw/zinc/83/22/68/336832268.db2.gz MALFYEYJLBRGFU-CJNGLKHVSA-N 1 2 324.852 2.950 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368417304 336844429 /nfs/dbraw/zinc/84/44/29/336844429.db2.gz QZEFPBXPVWYKLF-HNNXBMFYSA-N 1 2 313.401 2.590 20 10 DFCDLO COc1ccc(O)c([C@H](C)N2CCn3c(C)c(C)[nH+]c3C2)c1 ZINC000372601267 336935702 /nfs/dbraw/zinc/93/57/02/336935702.db2.gz MYMWIYLYJBCGJK-ZDUSSCGKSA-N 1 2 301.390 2.791 20 10 DFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000375016273 337001668 /nfs/dbraw/zinc/00/16/68/337001668.db2.gz DUOSFTNRPROJDH-AWEZNQCLSA-N 1 2 321.808 2.959 20 10 DFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000375016273 337001669 /nfs/dbraw/zinc/00/16/69/337001669.db2.gz DUOSFTNRPROJDH-AWEZNQCLSA-N 1 2 321.808 2.959 20 10 DFCDLO CCOc1ccc(O)c(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000375394478 337010360 /nfs/dbraw/zinc/01/03/60/337010360.db2.gz PFMOFRNPZMTYFV-QGZVFWFLSA-N 1 2 324.384 2.788 20 10 DFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000375682055 337016435 /nfs/dbraw/zinc/01/64/35/337016435.db2.gz BVPHMLPSCXCLPI-MRXNPFEDSA-N 1 2 324.428 2.746 20 10 DFCDLO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000375682055 337016436 /nfs/dbraw/zinc/01/64/36/337016436.db2.gz BVPHMLPSCXCLPI-MRXNPFEDSA-N 1 2 324.428 2.746 20 10 DFCDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000376022069 337025491 /nfs/dbraw/zinc/02/54/91/337025491.db2.gz RDEWJIUZGGTFCF-MRXNPFEDSA-N 1 2 311.809 2.816 20 10 DFCDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000376022069 337025492 /nfs/dbraw/zinc/02/54/92/337025492.db2.gz RDEWJIUZGGTFCF-MRXNPFEDSA-N 1 2 311.809 2.816 20 10 DFCDLO Cc1n[nH]c(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000378442656 337072888 /nfs/dbraw/zinc/07/28/88/337072888.db2.gz LAZWWGFRNABKCK-UHFFFAOYSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)n[nH]1 ZINC000378442656 337072889 /nfs/dbraw/zinc/07/28/89/337072889.db2.gz LAZWWGFRNABKCK-UHFFFAOYSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nnc(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)[nH]1 ZINC000378442656 337072890 /nfs/dbraw/zinc/07/28/90/337072890.db2.gz LAZWWGFRNABKCK-UHFFFAOYSA-N 1 2 306.797 2.852 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000190690307 337289689 /nfs/dbraw/zinc/28/96/89/337289689.db2.gz RLKZEGIHVQQCRT-UHFFFAOYSA-N 1 2 324.787 2.792 20 10 DFCDLO CN(C)c1ccc(C[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000265235743 522213142 /nfs/dbraw/zinc/21/31/42/522213142.db2.gz JOWMMRGRNVFAIG-MRXNPFEDSA-N 1 2 306.356 2.854 20 10 DFCDLO COC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000182234921 522792947 /nfs/dbraw/zinc/79/29/47/522792947.db2.gz BJPFQUWDQGLILZ-UHFFFAOYSA-N 1 2 306.189 2.988 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000180562784 524864621 /nfs/dbraw/zinc/86/46/21/524864621.db2.gz DTXRWUBPVFHVPQ-CYBMUJFWSA-N 1 2 306.797 2.820 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000180562784 524864632 /nfs/dbraw/zinc/86/46/32/524864632.db2.gz DTXRWUBPVFHVPQ-CYBMUJFWSA-N 1 2 306.797 2.820 20 10 DFCDLO COC(=O)COc1ccc([N@H+](C)CCCC2CCOCC2)cc1 ZINC000274460111 536478479 /nfs/dbraw/zinc/47/84/79/536478479.db2.gz UUXNDGIYQWIQSQ-UHFFFAOYSA-N 1 2 321.417 2.881 20 10 DFCDLO COC(=O)COc1ccc([N@@H+](C)CCCC2CCOCC2)cc1 ZINC000274460111 536478482 /nfs/dbraw/zinc/47/84/82/536478482.db2.gz UUXNDGIYQWIQSQ-UHFFFAOYSA-N 1 2 321.417 2.881 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3nc(C)cs3)CC2)cc1F ZINC000088604204 185259663 /nfs/dbraw/zinc/25/96/63/185259663.db2.gz VLUWPFWIRFZMFV-UHFFFAOYSA-N 1 2 321.421 2.921 20 10 DFCDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000133656848 283085750 /nfs/dbraw/zinc/08/57/50/283085750.db2.gz BRIVCRDCJNKGFL-UHFFFAOYSA-N 1 2 319.232 2.999 20 10 DFCDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000133656848 283085752 /nfs/dbraw/zinc/08/57/52/283085752.db2.gz BRIVCRDCJNKGFL-UHFFFAOYSA-N 1 2 319.232 2.999 20 10 DFCDLO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000185974324 299319854 /nfs/dbraw/zinc/31/98/54/299319854.db2.gz ZIASFWGKEOTCJO-UWVGGRQHSA-N 1 2 319.232 2.680 20 10 DFCDLO Oc1c(F)cccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000272324553 130020136 /nfs/dbraw/zinc/02/01/36/130020136.db2.gz VAMDDUMMMKQSIM-UHFFFAOYSA-N 1 2 321.783 2.902 20 10 DFCDLO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000273444021 130122139 /nfs/dbraw/zinc/12/21/39/130122139.db2.gz ZJVGEWBDXYELDY-HWPZZCPQSA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@@H]([NH2+]CCOc1ncccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000273455240 130124405 /nfs/dbraw/zinc/12/44/05/130124405.db2.gz GZQAABWMPWEMJI-SNVBAGLBSA-N 1 2 321.308 2.564 20 10 DFCDLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273562201 130136509 /nfs/dbraw/zinc/13/65/09/130136509.db2.gz IIFRTAGTGBPALH-VIFPVBQESA-N 1 2 304.350 2.502 20 10 DFCDLO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O ZINC000273605160 130144004 /nfs/dbraw/zinc/14/40/04/130144004.db2.gz TWUUTNAIXMTZDP-AAEUAGOBSA-N 1 2 314.341 2.955 20 10 DFCDLO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273619266 130145258 /nfs/dbraw/zinc/14/52/58/130145258.db2.gz YMVUFQXZLLUXKM-PXAZEXFGSA-N 1 2 316.357 2.993 20 10 DFCDLO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000276873444 130554491 /nfs/dbraw/zinc/55/44/91/130554491.db2.gz FCFSIJAHBKTUIJ-YPMHNXCESA-N 1 2 307.340 2.925 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc(Cl)c1O ZINC000287716474 131296675 /nfs/dbraw/zinc/29/66/75/131296675.db2.gz OJZNGGSBIIRDIB-LSDHHAIUSA-N 1 2 313.825 2.874 20 10 DFCDLO CN(C)c1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1F ZINC000288523233 131328582 /nfs/dbraw/zinc/32/85/82/131328582.db2.gz UWTFMBFLIRXOCV-UHFFFAOYSA-N 1 2 310.323 2.909 20 10 DFCDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298324484 132056745 /nfs/dbraw/zinc/05/67/45/132056745.db2.gz ZKCSWTSDNCQMBT-CQSZACIVSA-N 1 2 315.417 2.655 20 10 DFCDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298324484 132056747 /nfs/dbraw/zinc/05/67/47/132056747.db2.gz ZKCSWTSDNCQMBT-CQSZACIVSA-N 1 2 315.417 2.655 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc(Cl)c1O ZINC000287892047 286909427 /nfs/dbraw/zinc/90/94/27/286909427.db2.gz ZAOKJJJTKYDHER-IUODEOHRSA-N 1 2 312.841 2.807 20 10 DFCDLO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1O ZINC000287787202 286926480 /nfs/dbraw/zinc/92/64/80/286926480.db2.gz SLVBZVJSUHLXQI-ZWNOBZJWSA-N 1 2 306.797 2.693 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000066686970 425905919 /nfs/dbraw/zinc/90/59/19/425905919.db2.gz JXNGGBIFKOUKET-CQSZACIVSA-N 1 2 316.405 2.599 20 10 DFCDLO Cc1cc(Br)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000124605090 425929110 /nfs/dbraw/zinc/92/91/10/425929110.db2.gz YCTQACVDIFBCNV-BETUJISGSA-N 1 2 312.207 2.826 20 10 DFCDLO Cn1ccnc1C[N@H+](C)Cc1cc(Br)ccc1O ZINC000134109126 426184956 /nfs/dbraw/zinc/18/49/56/426184956.db2.gz KGIPHANIIHETHK-UHFFFAOYSA-N 1 2 310.195 2.520 20 10 DFCDLO Cn1ccnc1C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000134109126 426184958 /nfs/dbraw/zinc/18/49/58/426184958.db2.gz KGIPHANIIHETHK-UHFFFAOYSA-N 1 2 310.195 2.520 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3nccs3)CC2)cc1F ZINC000135140087 426206633 /nfs/dbraw/zinc/20/66/33/426206633.db2.gz LGGRFZFJYPMMOT-UHFFFAOYSA-N 1 2 307.394 2.613 20 10 DFCDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000174476848 426258077 /nfs/dbraw/zinc/25/80/77/426258077.db2.gz CQQCGQWFYAQFJP-CQSZACIVSA-N 1 2 320.345 2.933 20 10 DFCDLO CCCOC(=O)[C@@H](C)[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119489284 426292534 /nfs/dbraw/zinc/29/25/34/426292534.db2.gz GWMVNUSOJIADJO-ZBFHGGJFSA-N 1 2 321.417 2.715 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ccsc3)C1)OCO2 ZINC000122227176 426363998 /nfs/dbraw/zinc/36/39/98/426363998.db2.gz KFGRCHIBOIXBEE-MRXNPFEDSA-N 1 2 319.382 2.756 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ccsc3)C1)OCO2 ZINC000122227176 426364001 /nfs/dbraw/zinc/36/40/01/426364001.db2.gz KFGRCHIBOIXBEE-MRXNPFEDSA-N 1 2 319.382 2.756 20 10 DFCDLO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C(C)=O)c1O ZINC000177332375 426468410 /nfs/dbraw/zinc/46/84/10/426468410.db2.gz UNCANMALLKPWKQ-CVEARBPZSA-N 1 2 320.408 2.793 20 10 DFCDLO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C(C)=O)c1O ZINC000177332375 426468414 /nfs/dbraw/zinc/46/84/14/426468414.db2.gz UNCANMALLKPWKQ-CVEARBPZSA-N 1 2 320.408 2.793 20 10 DFCDLO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186203393 426493313 /nfs/dbraw/zinc/49/33/13/426493313.db2.gz UCPQJEILZCIGEZ-BDAKNGLRSA-N 1 2 308.205 2.747 20 10 DFCDLO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000186292203 426501383 /nfs/dbraw/zinc/50/13/83/426501383.db2.gz HFYDYFCSWBRDDP-VIFPVBQESA-N 1 2 315.797 2.874 20 10 DFCDLO COCCN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1O ZINC000289484109 426666951 /nfs/dbraw/zinc/66/69/51/426666951.db2.gz QVLWTSNHBAUNHV-UHFFFAOYSA-N 1 2 321.248 2.709 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[S@]1=O ZINC000289821617 426675230 /nfs/dbraw/zinc/67/52/30/426675230.db2.gz TZVXKDNUCZGMLL-DEOKDLAOSA-N 1 2 312.454 2.623 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[S@]1=O ZINC000289821617 426675234 /nfs/dbraw/zinc/67/52/34/426675234.db2.gz TZVXKDNUCZGMLL-DEOKDLAOSA-N 1 2 312.454 2.623 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)no1 ZINC000290190600 426711858 /nfs/dbraw/zinc/71/18/58/426711858.db2.gz OGUZEMLFBMGPRU-GHMZBOCLSA-N 1 2 321.377 2.732 20 10 DFCDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187793416 426695508 /nfs/dbraw/zinc/69/55/08/426695508.db2.gz YMSUKBNMISHMGR-UFBFGSQYSA-N 1 2 308.332 2.756 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2O)no1 ZINC000290280671 426731576 /nfs/dbraw/zinc/73/15/76/426731576.db2.gz XDEHCMPCZPOACT-ZJUUUORDSA-N 1 2 309.341 2.863 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)no1 ZINC000290280670 426731650 /nfs/dbraw/zinc/73/16/50/426731650.db2.gz XDEHCMPCZPOACT-VHSXEESVSA-N 1 2 309.341 2.863 20 10 DFCDLO CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179662778 426809374 /nfs/dbraw/zinc/80/93/74/426809374.db2.gz KYIVWKVPZLRESR-UHFFFAOYSA-N 1 2 310.825 2.784 20 10 DFCDLO Cn1cnnc1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179753566 426816951 /nfs/dbraw/zinc/81/69/51/426816951.db2.gz CCGFJKJBDUIHQI-UHFFFAOYSA-N 1 2 306.797 2.554 20 10 DFCDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(C)s3)CC2)cc1 ZINC000283332265 426996769 /nfs/dbraw/zinc/99/67/69/426996769.db2.gz AHISNKYXJWHUGE-GFCCVEGCSA-N 1 2 318.446 2.738 20 10 DFCDLO CC(C)Oc1ccc([N@H+](C)CC2CCS(=O)(=O)CC2)cc1 ZINC000277105823 427136451 /nfs/dbraw/zinc/13/64/51/427136451.db2.gz GWKAOXHLHMPLKA-UHFFFAOYSA-N 1 2 311.447 2.735 20 10 DFCDLO CC(C)Oc1ccc([N@@H+](C)CC2CCS(=O)(=O)CC2)cc1 ZINC000277105823 427136459 /nfs/dbraw/zinc/13/64/59/427136459.db2.gz GWKAOXHLHMPLKA-UHFFFAOYSA-N 1 2 311.447 2.735 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)c1O ZINC000296789873 427236296 /nfs/dbraw/zinc/23/62/96/427236296.db2.gz SRJFBDKLVIOJNC-GFCCVEGCSA-N 1 2 320.408 2.650 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)c1O ZINC000296789873 427236299 /nfs/dbraw/zinc/23/62/99/427236299.db2.gz SRJFBDKLVIOJNC-GFCCVEGCSA-N 1 2 320.408 2.650 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277640617 427269395 /nfs/dbraw/zinc/26/93/95/427269395.db2.gz NPVCCHOJKBBBRO-UHFFFAOYSA-N 1 2 318.808 2.594 20 10 DFCDLO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000277709084 427291898 /nfs/dbraw/zinc/29/18/98/427291898.db2.gz INPOAQRMGHURDV-JOYOIKCWSA-N 1 2 300.196 2.669 20 10 DFCDLO Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000278721349 427448689 /nfs/dbraw/zinc/44/86/89/427448689.db2.gz PQNDQAWIROYHDS-CYBMUJFWSA-N 1 2 320.824 2.538 20 10 DFCDLO COc1c(O)c(CNc2ccc(C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000278467002 427438177 /nfs/dbraw/zinc/43/81/77/427438177.db2.gz GJINKHZUPOXHGY-UHFFFAOYSA-N 1 2 303.318 2.933 20 10 DFCDLO CCCn1ncnc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000279344926 427644864 /nfs/dbraw/zinc/64/48/64/427644864.db2.gz FBSKPLKQGVQRBO-UHFFFAOYSA-N 1 2 313.449 2.919 20 10 DFCDLO CCCn1ncnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000279344926 427644870 /nfs/dbraw/zinc/64/48/70/427644870.db2.gz FBSKPLKQGVQRBO-UHFFFAOYSA-N 1 2 313.449 2.919 20 10 DFCDLO CCN(CC)c1ccc(C[NH2+]Cc2nn(CC)nc2C)cc1F ZINC000294713713 427648148 /nfs/dbraw/zinc/64/81/48/427648148.db2.gz BLZPJOULIGATOH-UHFFFAOYSA-N 1 2 319.428 2.882 20 10 DFCDLO COc1ccc(N2CCC[N@H+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC000360371738 428272495 /nfs/dbraw/zinc/27/24/95/428272495.db2.gz MNLOGXAWVQVHQO-UHFFFAOYSA-N 1 2 320.433 2.549 20 10 DFCDLO COc1ccc(N2CCC[N@@H+](CC(=O)OC(C)(C)C)CC2)cc1 ZINC000360371738 428272500 /nfs/dbraw/zinc/27/25/00/428272500.db2.gz MNLOGXAWVQVHQO-UHFFFAOYSA-N 1 2 320.433 2.549 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000372118006 428414538 /nfs/dbraw/zinc/41/45/38/428414538.db2.gz ZMZYFQYUZFPVOL-OAHLLOKOSA-N 1 2 313.825 2.980 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000372118006 428414541 /nfs/dbraw/zinc/41/45/41/428414541.db2.gz ZMZYFQYUZFPVOL-OAHLLOKOSA-N 1 2 313.825 2.980 20 10 DFCDLO CN(C)c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000374556289 428699830 /nfs/dbraw/zinc/69/98/30/428699830.db2.gz KVNGNNDWVYNJKP-HNNXBMFYSA-N 1 2 315.421 2.539 20 10 DFCDLO CN(C)c1noc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)cc2)n1 ZINC000374556289 428699834 /nfs/dbraw/zinc/69/98/34/428699834.db2.gz KVNGNNDWVYNJKP-HNNXBMFYSA-N 1 2 315.421 2.539 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(Cl)cc(Cl)c1O ZINC000530228276 430106079 /nfs/dbraw/zinc/10/60/79/430106079.db2.gz ZPDZRRZQYAQHLB-MFKMUULPSA-N 1 2 319.232 2.728 20 10 DFCDLO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)cn1 ZINC000279086759 278197784 /nfs/dbraw/zinc/19/77/84/278197784.db2.gz NCVRHKDXSCHGGV-SECBINFHSA-N 1 2 321.327 2.875 20 10 DFCDLO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O ZINC000273605162 278285043 /nfs/dbraw/zinc/28/50/43/278285043.db2.gz TWUUTNAIXMTZDP-WCQYABFASA-N 1 2 314.341 2.955 20 10 DFCDLO CC[C@H]([NH2+]CC1(CO)COC1)c1cc(Cl)cc(Cl)c1O ZINC000287311951 288037740 /nfs/dbraw/zinc/03/77/40/288037740.db2.gz CZADHMDZEPRGLV-LBPRGKRZSA-N 1 2 320.216 2.749 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc(Cl)c1O ZINC000287861505 288046096 /nfs/dbraw/zinc/04/60/96/288046096.db2.gz XISXPLZYGRDAFS-GWCFXTLKSA-N 1 2 317.838 2.521 20 10 DFCDLO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1cccc(Cl)c1O ZINC000287096290 288076022 /nfs/dbraw/zinc/07/60/22/288076022.db2.gz PTKTZEAXJWVAST-SKDRFNHKSA-N 1 2 302.777 2.561 20 10 DFCDLO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O ZINC000185264808 333206488 /nfs/dbraw/zinc/20/64/88/333206488.db2.gz NVTHXGRFBZZGTG-QMMMGPOBSA-N 1 2 305.205 2.828 20 10 DFCDLO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(C)(C)CO ZINC000295114492 335132089 /nfs/dbraw/zinc/13/20/89/335132089.db2.gz VMEMNYUGUOZXKP-CQSZACIVSA-N 1 2 323.824 2.629 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273409819 334046258 /nfs/dbraw/zinc/04/62/58/334046258.db2.gz PMTUYZBVROOVCJ-BDJLRTHQSA-N 1 2 302.330 2.685 20 10 DFCDLO C[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273462048 334047251 /nfs/dbraw/zinc/04/72/51/334047251.db2.gz CTSXNVGWYQSUSQ-MEBBXXQBSA-N 1 2 322.386 2.920 20 10 DFCDLO C[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273462041 334047258 /nfs/dbraw/zinc/04/72/58/334047258.db2.gz CTSXNVGWYQSUSQ-BMIGLBTASA-N 1 2 322.386 2.920 20 10 DFCDLO Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273463212 334047291 /nfs/dbraw/zinc/04/72/91/334047291.db2.gz IMCXDBJLECTUBD-LBPRGKRZSA-N 1 2 301.346 2.897 20 10 DFCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000273459312 334047339 /nfs/dbraw/zinc/04/73/39/334047339.db2.gz HUTPZSIGKQQJCY-YGRLFVJLSA-N 1 2 315.373 2.630 20 10 DFCDLO COC(=O)[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000276424121 334077811 /nfs/dbraw/zinc/07/78/11/334077811.db2.gz GOFLOYDZEUAYEZ-KRWDZBQOSA-N 1 2 302.418 2.718 20 10 DFCDLO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000125502176 334802881 /nfs/dbraw/zinc/80/28/81/334802881.db2.gz QFERIEDXAWSNAK-NTCNTBNZSA-N 1 2 310.246 2.946 20 10 DFCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000375470991 337011736 /nfs/dbraw/zinc/01/17/36/337011736.db2.gz RNTRCJSFTLHFSN-ZIAGYGMSSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000375470991 337011737 /nfs/dbraw/zinc/01/17/37/337011737.db2.gz RNTRCJSFTLHFSN-ZIAGYGMSSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C(NC1CC1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000378440038 337072845 /nfs/dbraw/zinc/07/28/45/337072845.db2.gz YHXDMTNJJSQTBR-UHFFFAOYSA-N 1 2 308.809 2.536 20 10 DFCDLO O=S1(=O)C[C@H]([NH2+]Cc2cccc(Cl)c2O)c2ccccc21 ZINC000378452284 337073238 /nfs/dbraw/zinc/07/32/38/337073238.db2.gz LHHIRMWVWHZTDR-ZDUSSCGKSA-N 1 2 323.801 2.664 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCN(c3cccs3)C(=O)C2)c1O ZINC000185670284 337249993 /nfs/dbraw/zinc/24/99/93/337249993.db2.gz RSHKHQUHIHAHOV-UHFFFAOYSA-N 1 2 302.399 2.611 20 10 DFCDLO Cc1cccc(C[N@H+]2CCN(c3cccs3)C(=O)C2)c1O ZINC000185670284 337249994 /nfs/dbraw/zinc/24/99/94/337249994.db2.gz RSHKHQUHIHAHOV-UHFFFAOYSA-N 1 2 302.399 2.611 20 10 DFCDLO CCn1cc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000191699062 337300663 /nfs/dbraw/zinc/30/06/63/337300663.db2.gz VOAKLIKSYZJMQA-MRXNPFEDSA-N 1 2 321.808 2.836 20 10 DFCDLO CCn1cc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000191699062 337300664 /nfs/dbraw/zinc/30/06/64/337300664.db2.gz VOAKLIKSYZJMQA-MRXNPFEDSA-N 1 2 321.808 2.836 20 10 DFCDLO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccc(Cl)c2O)C1(C)C ZINC000188904833 520394811 /nfs/dbraw/zinc/39/48/11/520394811.db2.gz RMMAGQPFWFFUQL-CJNGLKHVSA-N 1 2 313.825 2.701 20 10 DFCDLO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cccc(Cl)c2O)C1(C)C ZINC000188904855 520558794 /nfs/dbraw/zinc/55/87/94/520558794.db2.gz RMMAGQPFWFFUQL-BBRMVZONSA-N 1 2 313.825 2.701 20 10 DFCDLO CCOc1cccc(C[N@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000181146277 521333704 /nfs/dbraw/zinc/33/37/04/521333704.db2.gz NWIRJLNPTFNJHN-UHFFFAOYSA-N 1 2 309.797 2.810 20 10 DFCDLO CCOc1cccc(C[N@@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000181146277 521333712 /nfs/dbraw/zinc/33/37/12/521333712.db2.gz NWIRJLNPTFNJHN-UHFFFAOYSA-N 1 2 309.797 2.810 20 10 DFCDLO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187753213 524583703 /nfs/dbraw/zinc/58/37/03/524583703.db2.gz ZXASUYAZMCRIPF-OUAUKWLOSA-N 1 2 301.333 2.515 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2ccc(C)o2)c1 ZINC000180290164 524742323 /nfs/dbraw/zinc/74/23/23/524742323.db2.gz UHJMMPVKCUEHKB-OAHLLOKOSA-N 1 2 303.358 2.876 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2ccc(C)o2)c1 ZINC000180290164 524742331 /nfs/dbraw/zinc/74/23/31/524742331.db2.gz UHJMMPVKCUEHKB-OAHLLOKOSA-N 1 2 303.358 2.876 20 10 DFCDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272231912 534837848 /nfs/dbraw/zinc/83/78/48/534837848.db2.gz FBALRIGQVDQOMV-UHFFFAOYSA-N 1 2 310.369 2.584 20 10 DFCDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000124523936 526157519 /nfs/dbraw/zinc/15/75/19/526157519.db2.gz QTPWJHRGYKDRMK-JTQLQIEISA-N 1 2 300.196 2.684 20 10 DFCDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](C)C2)c1O ZINC000124523936 526157528 /nfs/dbraw/zinc/15/75/28/526157528.db2.gz QTPWJHRGYKDRMK-JTQLQIEISA-N 1 2 300.196 2.684 20 10 DFCDLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000190982630 526239765 /nfs/dbraw/zinc/23/97/65/526239765.db2.gz IBEKOKQCRKOHRQ-NSHDSACASA-N 1 2 301.346 2.554 20 10 DFCDLO Cc1nsc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)n1 ZINC000130971711 526711973 /nfs/dbraw/zinc/71/19/73/526711973.db2.gz GZUIJXBMEKRLLY-UHFFFAOYSA-N 1 2 324.837 2.528 20 10 DFCDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@]12CCCO2 ZINC000273699498 535411915 /nfs/dbraw/zinc/41/19/15/535411915.db2.gz CXLQZQYUNYVDIC-IIAWOOMASA-N 1 2 311.809 2.862 20 10 DFCDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976708 398605823 /nfs/dbraw/zinc/60/58/23/398605823.db2.gz FCDYMEULFKFFPJ-HNNXBMFYSA-N 1 2 321.417 2.715 20 10 DFCDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976708 398605827 /nfs/dbraw/zinc/60/58/27/398605827.db2.gz FCDYMEULFKFFPJ-HNNXBMFYSA-N 1 2 321.417 2.715 20 10 DFCDLO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O ZINC000273489260 299311278 /nfs/dbraw/zinc/31/12/78/299311278.db2.gz NVEKWQHOOAJQLA-WCQYABFASA-N 1 2 322.361 2.637 20 10 DFCDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C(=O)NC(C)(C)C ZINC000187675367 299345084 /nfs/dbraw/zinc/34/50/84/299345084.db2.gz WRAPQLVDRXNQCV-IUCAKERBSA-N 1 2 300.349 2.624 20 10 DFCDLO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273398373 130117445 /nfs/dbraw/zinc/11/74/45/130117445.db2.gz MMXWGZQLQHDMSD-PXAZEXFGSA-N 1 2 316.357 2.993 20 10 DFCDLO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1O ZINC000273616654 130144915 /nfs/dbraw/zinc/14/49/15/130144915.db2.gz XNWUTIWOOSIAJX-SNVBAGLBSA-N 1 2 318.329 2.865 20 10 DFCDLO CCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000274028281 130199198 /nfs/dbraw/zinc/19/91/98/130199198.db2.gz ALPCYDNHWYNOOZ-LBPRGKRZSA-N 1 2 323.389 2.721 20 10 DFCDLO Cn1cncc1[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCO1 ZINC000275688977 130363895 /nfs/dbraw/zinc/36/38/95/130363895.db2.gz WWKZFDYNABPPKU-SWLSCSKDSA-N 1 2 321.808 2.789 20 10 DFCDLO COc1cccc(CNC(=O)Nc2c(C)cc[nH+]c2C)c1O ZINC000287584006 131288024 /nfs/dbraw/zinc/28/80/24/131288024.db2.gz QYLQWOBOTVNSNY-UHFFFAOYSA-N 1 2 301.346 2.734 20 10 DFCDLO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc(Cl)c1O ZINC000287823189 131302508 /nfs/dbraw/zinc/30/25/08/131302508.db2.gz VICCQTWFFFQDHR-KBPBESRZSA-N 1 2 309.797 2.553 20 10 DFCDLO CCc1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000299611188 132113330 /nfs/dbraw/zinc/11/33/30/132113330.db2.gz LFDUHDIKDWAPBH-UHFFFAOYSA-N 1 2 313.449 2.608 20 10 DFCDLO CCc1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000299611188 132113332 /nfs/dbraw/zinc/11/33/32/132113332.db2.gz LFDUHDIKDWAPBH-UHFFFAOYSA-N 1 2 313.449 2.608 20 10 DFCDLO Cc1cccc(C)c1-n1nnnc1C[N@@H+](C)Cc1ccccc1O ZINC000111235568 426039560 /nfs/dbraw/zinc/03/95/60/426039560.db2.gz PNRMKESWAQPUSW-UHFFFAOYSA-N 1 2 323.400 2.617 20 10 DFCDLO Cc1cccc(C)c1-n1nnnc1C[N@H+](C)Cc1ccccc1O ZINC000111235568 426039561 /nfs/dbraw/zinc/03/95/61/426039561.db2.gz PNRMKESWAQPUSW-UHFFFAOYSA-N 1 2 323.400 2.617 20 10 DFCDLO O=C1OCC[C@H]1CC[N@@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000120232327 426308162 /nfs/dbraw/zinc/30/81/62/426308162.db2.gz FDXBBUOVURRFQQ-LLVKDONJSA-N 1 2 311.328 2.994 20 10 DFCDLO O=C1OCC[C@H]1CC[N@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000120232327 426308164 /nfs/dbraw/zinc/30/81/64/426308164.db2.gz FDXBBUOVURRFQQ-LLVKDONJSA-N 1 2 311.328 2.994 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000227439328 426625921 /nfs/dbraw/zinc/62/59/21/426625921.db2.gz OFDSPCWDAMVOJV-MRVPVSSYSA-N 1 2 304.095 2.712 20 10 DFCDLO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1O ZINC000187753386 426690353 /nfs/dbraw/zinc/69/03/53/426690353.db2.gz LPWMDAPDUCVRMK-IJQVFZPHSA-N 1 2 305.324 2.979 20 10 DFCDLO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(F)c(F)c1O ZINC000187724453 426688585 /nfs/dbraw/zinc/68/85/85/426688585.db2.gz AMFZUYJFTGJZEB-YBYGRFCBSA-N 1 2 305.390 2.868 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000282491420 426914377 /nfs/dbraw/zinc/91/43/77/426914377.db2.gz RAWXMNOCVHDMJK-HZMBPMFUSA-N 1 2 316.361 2.762 20 10 DFCDLO CCN1C(=O)/C(=C/c2ccc(N3CCCC3)[nH+]c2)SC1=S ZINC000268192592 426944201 /nfs/dbraw/zinc/94/42/01/426944201.db2.gz WOFINQBQABZGKZ-XFXZXTDPSA-N 1 2 319.455 2.903 20 10 DFCDLO CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1cc(Cl)cc(Cl)c1O ZINC000291883472 427016324 /nfs/dbraw/zinc/01/63/24/427016324.db2.gz JSMGAHJCMHWUDB-CPCISQLKSA-N 1 2 305.205 2.874 20 10 DFCDLO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(F)c(F)c1O ZINC000249124544 427091658 /nfs/dbraw/zinc/09/16/58/427091658.db2.gz UOKGTFOUUJDYFC-AUYAEMIRSA-N 1 2 305.324 2.979 20 10 DFCDLO C[C@@H]([NH2+]Cc1nncn1C)c1cc(Cl)c(Cl)cc1O ZINC000278153689 427417552 /nfs/dbraw/zinc/41/75/52/427417552.db2.gz AKJANLDKGYQMTD-SSDOTTSWSA-N 1 2 301.177 2.678 20 10 DFCDLO COc1c(O)c(C[N@@H+]2CCc3ccsc3C2)ccc1[N+](=O)[O-] ZINC000278314602 427426528 /nfs/dbraw/zinc/42/65/28/427426528.db2.gz XFZPPYLMEYJULU-UHFFFAOYSA-N 1 2 320.370 2.929 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCc3ccsc3C2)ccc1[N+](=O)[O-] ZINC000278314602 427426544 /nfs/dbraw/zinc/42/65/44/427426544.db2.gz XFZPPYLMEYJULU-UHFFFAOYSA-N 1 2 320.370 2.929 20 10 DFCDLO Oc1cccc(Cl)c1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000271178978 427433948 /nfs/dbraw/zinc/43/39/48/427433948.db2.gz IMVNDTTXGMZEKR-UHFFFAOYSA-N 1 2 321.783 2.902 20 10 DFCDLO COc1c(O)c(CNc2ccc([NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000278634085 427446257 /nfs/dbraw/zinc/44/62/57/427446257.db2.gz HCWXQUXHLGDQKZ-UHFFFAOYSA-N 1 2 317.345 2.987 20 10 DFCDLO CCOC(=O)C[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000184681179 427516548 /nfs/dbraw/zinc/51/65/48/427516548.db2.gz SQDYJACPNPJLNO-UHFFFAOYSA-N 1 2 313.781 2.582 20 10 DFCDLO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000184700480 427520455 /nfs/dbraw/zinc/52/04/55/427520455.db2.gz AFOMKRGGZDUSST-SNVBAGLBSA-N 1 2 315.797 2.826 20 10 DFCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000184700480 427520461 /nfs/dbraw/zinc/52/04/61/427520461.db2.gz AFOMKRGGZDUSST-SNVBAGLBSA-N 1 2 315.797 2.826 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3cnn(C)c3)C2)c1O ZINC000271749540 427585346 /nfs/dbraw/zinc/58/53/46/427585346.db2.gz BRBJVFXYHSWNLD-HNNXBMFYSA-N 1 2 321.808 2.661 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3cnn(C)c3)C2)c1O ZINC000271749540 427585351 /nfs/dbraw/zinc/58/53/51/427585351.db2.gz BRBJVFXYHSWNLD-HNNXBMFYSA-N 1 2 321.808 2.661 20 10 DFCDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2cccc(Cl)c2O)n1 ZINC000271868727 427592599 /nfs/dbraw/zinc/59/25/99/427592599.db2.gz RSCBVMJUFFSSTO-SECBINFHSA-N 1 2 311.769 2.768 20 10 DFCDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cccc(Cl)c2O)n1 ZINC000271868727 427592607 /nfs/dbraw/zinc/59/26/07/427592607.db2.gz RSCBVMJUFFSSTO-SECBINFHSA-N 1 2 311.769 2.768 20 10 DFCDLO C[C@@H]([NH2+]CC(F)(F)CO)c1cc(Cl)c(Cl)cc1O ZINC000193296488 427684375 /nfs/dbraw/zinc/68/43/75/427684375.db2.gz JVBQJSWBTONANC-ZCFIWIBFSA-N 1 2 300.132 2.977 20 10 DFCDLO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(Cl)c1O ZINC000287787193 427691546 /nfs/dbraw/zinc/69/15/46/427691546.db2.gz SLVBZVJSUHLXQI-GXFFZTMASA-N 1 2 306.797 2.693 20 10 DFCDLO Cc1nn(C)c(C[N@H+](C)Cc2ccccc2O)c1Br ZINC000279693966 427716309 /nfs/dbraw/zinc/71/63/09/427716309.db2.gz CCZGLZQYUZHVHC-UHFFFAOYSA-N 1 2 324.222 2.829 20 10 DFCDLO Cc1nn(C)c(C[N@@H+](C)Cc2ccccc2O)c1Br ZINC000279693966 427716315 /nfs/dbraw/zinc/71/63/15/427716315.db2.gz CCZGLZQYUZHVHC-UHFFFAOYSA-N 1 2 324.222 2.829 20 10 DFCDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(Cl)c1O ZINC000371422979 428389722 /nfs/dbraw/zinc/38/97/22/428389722.db2.gz HZIAMNJFVVDMAI-BPNCWPANSA-N 1 2 308.809 2.664 20 10 DFCDLO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Cl)c1O ZINC000371422979 428389727 /nfs/dbraw/zinc/38/97/27/428389727.db2.gz HZIAMNJFVVDMAI-BPNCWPANSA-N 1 2 308.809 2.664 20 10 DFCDLO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)c(O)c1 ZINC000371375527 428384872 /nfs/dbraw/zinc/38/48/72/428384872.db2.gz VCXICOFZWQRITB-AWEZNQCLSA-N 1 2 303.362 2.901 20 10 DFCDLO CCCc1noc(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000372802382 428503214 /nfs/dbraw/zinc/50/32/14/428503214.db2.gz MXANHJXLNXOEPV-UHFFFAOYSA-N 1 2 312.417 2.987 20 10 DFCDLO CCCc1noc(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000372802382 428503219 /nfs/dbraw/zinc/50/32/19/428503219.db2.gz MXANHJXLNXOEPV-UHFFFAOYSA-N 1 2 312.417 2.987 20 10 DFCDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466385 428583522 /nfs/dbraw/zinc/58/35/22/428583522.db2.gz OIQJJNUUIZPHCU-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466385 428583526 /nfs/dbraw/zinc/58/35/26/428583526.db2.gz OIQJJNUUIZPHCU-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO Nc1nccc([C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000375074414 428797909 /nfs/dbraw/zinc/79/79/09/428797909.db2.gz LTIODAXISCXSQB-NSHDSACASA-N 1 2 318.808 2.797 20 10 DFCDLO Nc1nccc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000375074414 428797914 /nfs/dbraw/zinc/79/79/14/428797914.db2.gz LTIODAXISCXSQB-NSHDSACASA-N 1 2 318.808 2.797 20 10 DFCDLO CCCOc1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c(O)c1 ZINC000363935477 429143648 /nfs/dbraw/zinc/14/36/48/429143648.db2.gz BGTRVLKDJFFYEI-CQSZACIVSA-N 1 2 301.390 2.551 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@@H](c3ncc[nH]3)c3ccncc3)ccc21 ZINC000364383279 429194913 /nfs/dbraw/zinc/19/49/13/429194913.db2.gz IESKHOZXBIKADQ-GOSISDBHSA-N 1 2 319.412 2.676 20 10 DFCDLO COc1cc(Cl)cc(C[NH+]2CC(n3cc(C)cn3)C2)c1O ZINC000366683171 429494795 /nfs/dbraw/zinc/49/47/95/429494795.db2.gz KAPGMYGGWXIHAL-UHFFFAOYSA-N 1 2 307.781 2.616 20 10 DFCDLO CCOC(=O)c1cccc(N(CC)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492890931 429637576 /nfs/dbraw/zinc/63/75/76/429637576.db2.gz CJFUQZFFYKUWJU-CMDGGOBGSA-N 1 2 313.357 2.653 20 10 DFCDLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000367392955 429640986 /nfs/dbraw/zinc/64/09/86/429640986.db2.gz WWNXUIOXYSEXPC-HWPZZCPQSA-N 1 2 300.314 2.912 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000367669725 429696871 /nfs/dbraw/zinc/69/68/71/429696871.db2.gz LNTRCZGYICAHOA-BBRMVZONSA-N 1 2 305.761 2.630 20 10 DFCDLO CCOc1ccc(O)c(CN2CCn3c(C)c(C)[nH+]c3C2)c1 ZINC000369426790 429944214 /nfs/dbraw/zinc/94/42/14/429944214.db2.gz MVVGZAXAYCVABV-UHFFFAOYSA-N 1 2 301.390 2.620 20 10 DFCDLO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178710 430101181 /nfs/dbraw/zinc/10/11/81/430101181.db2.gz MQYFGAXBNLIIQM-GFCCVEGCSA-N 1 2 311.223 2.529 20 10 DFCDLO Oc1c(Br)cccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178710 430101187 /nfs/dbraw/zinc/10/11/87/430101187.db2.gz MQYFGAXBNLIIQM-GFCCVEGCSA-N 1 2 311.223 2.529 20 10 DFCDLO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1cccc(Cl)c1O ZINC000287267650 288042068 /nfs/dbraw/zinc/04/20/68/288042068.db2.gz ASZAXDRKFUZENL-LBPRGKRZSA-N 1 2 305.827 2.521 20 10 DFCDLO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)[C@H](O)C(F)(F)F ZINC000273452898 288060949 /nfs/dbraw/zinc/06/09/49/288060949.db2.gz GNHLVISKZDPCOM-JWYUURKGSA-N 1 2 322.283 2.653 20 10 DFCDLO CC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000287876103 288086537 /nfs/dbraw/zinc/08/65/37/288086537.db2.gz YDQIRIHUQYIKTN-HZMBPMFUSA-N 1 2 308.809 2.850 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@]23CCOC3)cc1F ZINC000195014060 279169513 /nfs/dbraw/zinc/16/95/13/279169513.db2.gz DWYADHVGQCKMER-SFHVURJKSA-N 1 2 322.424 2.663 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCOC[C@@]23CCOC3)cc1F ZINC000195014060 279169517 /nfs/dbraw/zinc/16/95/17/279169517.db2.gz DWYADHVGQCKMER-SFHVURJKSA-N 1 2 322.424 2.663 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCCOC2)O1 ZINC000366463084 297032113 /nfs/dbraw/zinc/03/21/13/297032113.db2.gz NVATURXSMPEAHV-MLGOLLRUSA-N 1 2 311.809 2.816 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCCOC2)O1 ZINC000366463084 297032114 /nfs/dbraw/zinc/03/21/14/297032114.db2.gz NVATURXSMPEAHV-MLGOLLRUSA-N 1 2 311.809 2.816 20 10 DFCDLO COc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000294694707 335125417 /nfs/dbraw/zinc/12/54/17/335125417.db2.gz CPKLPGOABCPRQP-HNNXBMFYSA-N 1 2 301.390 2.717 20 10 DFCDLO COc1cccc(C[N@H+]2CC(C)(C)[C@@H]2c2nccn2C)c1O ZINC000294694707 335125418 /nfs/dbraw/zinc/12/54/18/335125418.db2.gz CPKLPGOABCPRQP-HNNXBMFYSA-N 1 2 301.390 2.717 20 10 DFCDLO Oc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000272441969 334034575 /nfs/dbraw/zinc/03/45/75/334034575.db2.gz OQJWZXQHULRHKM-ZDUSSCGKSA-N 1 2 316.380 2.906 20 10 DFCDLO Oc1c(F)cccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000272441969 334034577 /nfs/dbraw/zinc/03/45/77/334034577.db2.gz OQJWZXQHULRHKM-ZDUSSCGKSA-N 1 2 316.380 2.906 20 10 DFCDLO CN(C)c1ccc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000375397099 337010291 /nfs/dbraw/zinc/01/02/91/337010291.db2.gz ZUALEFBXRGOOGO-KRWDZBQOSA-N 1 2 307.401 2.750 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377690015 337058482 /nfs/dbraw/zinc/05/84/82/337058482.db2.gz FYMDMRXHLYIWQZ-CABCVRRESA-N 1 2 311.809 2.734 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377690015 337058483 /nfs/dbraw/zinc/05/84/83/337058483.db2.gz FYMDMRXHLYIWQZ-CABCVRRESA-N 1 2 311.809 2.734 20 10 DFCDLO O=C1CCCN1CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000378441812 337072809 /nfs/dbraw/zinc/07/28/09/337072809.db2.gz IEQHAVANCGDOOY-UHFFFAOYSA-N 1 2 322.836 2.880 20 10 DFCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000180780029 337177892 /nfs/dbraw/zinc/17/78/92/337177892.db2.gz YOUCVQNJSWRTIE-BPLDGKMQSA-N 1 2 311.809 2.814 20 10 DFCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000180780029 337177893 /nfs/dbraw/zinc/17/78/93/337177893.db2.gz YOUCVQNJSWRTIE-BPLDGKMQSA-N 1 2 311.809 2.814 20 10 DFCDLO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000190146132 337285177 /nfs/dbraw/zinc/28/51/77/337285177.db2.gz ONWNNEPQVKQBPW-QWHCGFSZSA-N 1 2 323.780 2.699 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000191436140 337296997 /nfs/dbraw/zinc/29/69/97/337296997.db2.gz KXVUNMLXQPFEPT-WCQYABFASA-N 1 2 317.813 2.891 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000191436140 337296998 /nfs/dbraw/zinc/29/69/98/337296998.db2.gz KXVUNMLXQPFEPT-WCQYABFASA-N 1 2 317.813 2.891 20 10 DFCDLO CC(C)COC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000181484771 519750185 /nfs/dbraw/zinc/75/01/85/519750185.db2.gz ULIJNOJXSFWXPY-MRXNPFEDSA-N 1 2 321.417 2.572 20 10 DFCDLO CC(C)COC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000181484771 519750187 /nfs/dbraw/zinc/75/01/87/519750187.db2.gz ULIJNOJXSFWXPY-MRXNPFEDSA-N 1 2 321.417 2.572 20 10 DFCDLO CC[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000132012921 523285880 /nfs/dbraw/zinc/28/58/80/523285880.db2.gz DBUROQUWNFPALN-LBPRGKRZSA-N 1 2 300.196 2.766 20 10 DFCDLO CC[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000132012921 523285902 /nfs/dbraw/zinc/28/59/02/523285902.db2.gz DBUROQUWNFPALN-LBPRGKRZSA-N 1 2 300.196 2.766 20 10 DFCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3noc(C)n3)CC2)cc1 ZINC000367720491 524404904 /nfs/dbraw/zinc/40/49/04/524404904.db2.gz LZLGHJBBCNSRKY-ZDUSSCGKSA-N 1 2 316.405 2.660 20 10 DFCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)c3noc(C)n3)CC2)cc1 ZINC000367720491 524404914 /nfs/dbraw/zinc/40/49/14/524404914.db2.gz LZLGHJBBCNSRKY-ZDUSSCGKSA-N 1 2 316.405 2.660 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000182054036 526326195 /nfs/dbraw/zinc/32/61/95/526326195.db2.gz CBAVBRQTAJTRIJ-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO Oc1cccc(C[NH+]2CCN(Cc3cc(F)ccc3O)CC2)c1 ZINC000180034210 526358972 /nfs/dbraw/zinc/35/89/72/526358972.db2.gz WLWALPWXNVZETH-UHFFFAOYSA-N 1 2 316.376 2.555 20 10 DFCDLO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1O ZINC000273616653 536897055 /nfs/dbraw/zinc/89/70/55/536897055.db2.gz XNWUTIWOOSIAJX-JTQLQIEISA-N 1 2 318.329 2.865 20 10 DFCDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976709 398605800 /nfs/dbraw/zinc/60/58/00/398605800.db2.gz FCDYMEULFKFFPJ-OAHLLOKOSA-N 1 2 321.417 2.715 20 10 DFCDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976709 398605805 /nfs/dbraw/zinc/60/58/05/398605805.db2.gz FCDYMEULFKFFPJ-OAHLLOKOSA-N 1 2 321.417 2.715 20 10 DFCDLO CCCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184882036 283371996 /nfs/dbraw/zinc/37/19/96/283371996.db2.gz CGIPJFRTWJLQFV-MRVPVSSYSA-N 1 2 305.205 2.876 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000185502949 299355563 /nfs/dbraw/zinc/35/55/63/299355563.db2.gz SYEDITFVZJQZHG-DTWKUNHWSA-N 1 2 317.216 2.970 20 10 DFCDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)c(F)c1O ZINC000191185943 296136390 /nfs/dbraw/zinc/13/63/90/296136390.db2.gz HFSPGLYCBKLQMG-SNVBAGLBSA-N 1 2 322.359 2.839 20 10 DFCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000365162822 296321569 /nfs/dbraw/zinc/32/15/69/296321569.db2.gz VVWDJGBYCSTAIX-TZMCWYRMSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000365162822 296321570 /nfs/dbraw/zinc/32/15/70/296321570.db2.gz VVWDJGBYCSTAIX-TZMCWYRMSA-N 1 2 309.793 2.616 20 10 DFCDLO Cc1csc([C@@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)n1 ZINC000272223625 130009058 /nfs/dbraw/zinc/00/90/58/130009058.db2.gz CLYKVISDBFOTKS-ZDUSSCGKSA-N 1 2 308.378 2.870 20 10 DFCDLO Cc1csc([C@@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)n1 ZINC000272223625 130009061 /nfs/dbraw/zinc/00/90/61/130009061.db2.gz CLYKVISDBFOTKS-ZDUSSCGKSA-N 1 2 308.378 2.870 20 10 DFCDLO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273374636 130113995 /nfs/dbraw/zinc/11/39/95/130113995.db2.gz GWPODOYMAFBNLP-SNVBAGLBSA-N 1 2 320.320 2.783 20 10 DFCDLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc([N+](=O)[O-])ccc1O ZINC000273391055 130116588 /nfs/dbraw/zinc/11/65/88/130116588.db2.gz KQQBHNDAPWMMNN-SNVBAGLBSA-N 1 2 316.313 2.880 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273587905 130140458 /nfs/dbraw/zinc/14/04/58/130140458.db2.gz OHKUGYPWOSWLFQ-XPTSAGLGSA-N 1 2 308.359 2.746 20 10 DFCDLO C[C@H](c1nccs1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000274332074 130227342 /nfs/dbraw/zinc/22/73/42/130227342.db2.gz GBQTWICAVAYVDN-GFCCVEGCSA-N 1 2 321.421 2.867 20 10 DFCDLO CCc1ccc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000285711680 131195756 /nfs/dbraw/zinc/19/57/56/131195756.db2.gz WNHWXUOGOGEOLY-KRWDZBQOSA-N 1 2 316.357 2.686 20 10 DFCDLO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)c(Cl)c1O ZINC000287138846 131266176 /nfs/dbraw/zinc/26/61/76/131266176.db2.gz ANWDVFNDKZPBOV-SSDOTTSWSA-N 1 2 301.177 2.678 20 10 DFCDLO CN(C)c1ccc(CN(C(=O)CCc2[nH]cc[nH+]2)C2CC2)cc1 ZINC000287567289 131286800 /nfs/dbraw/zinc/28/68/00/131286800.db2.gz MWQROEDAVAVSTQ-UHFFFAOYSA-N 1 2 312.417 2.600 20 10 DFCDLO COc1ccc(O)c(C[NH2+][C@@H](C)c2noc(COC(C)C)n2)c1 ZINC000290938467 131529799 /nfs/dbraw/zinc/52/97/99/131529799.db2.gz PPUCFVUWAPIXOL-NSHDSACASA-N 1 2 321.377 2.560 20 10 DFCDLO CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1cccc(Cl)c1O ZINC000287834138 286907512 /nfs/dbraw/zinc/90/75/12/286907512.db2.gz VUWMOGKFVUGWLY-GFCCVEGCSA-N 1 2 305.827 2.521 20 10 DFCDLO CC(=O)c1cc(Cl)cc(CN(C)Cc2[nH+]ccn2C)c1O ZINC000062254400 425900113 /nfs/dbraw/zinc/90/01/13/425900113.db2.gz IQDATPITHDCAEM-UHFFFAOYSA-N 1 2 307.781 2.614 20 10 DFCDLO CCCN1C(=O)C2(CCCCC2)[NH2+][C@H]1c1cc(OC)ccc1O ZINC000078761910 426184936 /nfs/dbraw/zinc/18/49/36/426184936.db2.gz TYAUXVSCAUNSGC-MRXNPFEDSA-N 1 2 318.417 2.944 20 10 DFCDLO CCn1cnnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000101592763 426485001 /nfs/dbraw/zinc/48/50/01/426485001.db2.gz RYTNICDVLOXKCG-UHFFFAOYSA-N 1 2 301.177 2.600 20 10 DFCDLO COc1c(O)c(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000280456467 426579069 /nfs/dbraw/zinc/57/90/69/426579069.db2.gz LUSJXNWCEXEIAM-ZDUSSCGKSA-N 1 2 324.377 2.556 20 10 DFCDLO COc1c(O)c(C[N@H+]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000280456467 426579072 /nfs/dbraw/zinc/57/90/72/426579072.db2.gz LUSJXNWCEXEIAM-ZDUSSCGKSA-N 1 2 324.377 2.556 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)[S@]1=O ZINC000289821620 426675280 /nfs/dbraw/zinc/67/52/80/426675280.db2.gz TZVXKDNUCZGMLL-MTNMJMNLSA-N 1 2 312.454 2.623 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)[S@]1=O ZINC000289821620 426675284 /nfs/dbraw/zinc/67/52/84/426675284.db2.gz TZVXKDNUCZGMLL-MTNMJMNLSA-N 1 2 312.454 2.623 20 10 DFCDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2CC(F)F)c1O ZINC000289966229 426677522 /nfs/dbraw/zinc/67/75/22/426677522.db2.gz ZGNGTXJIUSIMSB-NSHDSACASA-N 1 2 321.751 2.910 20 10 DFCDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2CC(F)F)c1O ZINC000289966229 426677527 /nfs/dbraw/zinc/67/75/27/426677527.db2.gz ZGNGTXJIUSIMSB-NSHDSACASA-N 1 2 321.751 2.910 20 10 DFCDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187793471 426696030 /nfs/dbraw/zinc/69/60/30/426696030.db2.gz YMSUKBNMISHMGR-PRHODGIISA-N 1 2 308.332 2.756 20 10 DFCDLO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000290233550 426722956 /nfs/dbraw/zinc/72/29/56/426722956.db2.gz RYLXAFKZKDYPNM-SWPVVBRQSA-N 1 2 306.189 2.763 20 10 DFCDLO CCCOC(=O)[C@@H](C)[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246614301 426849870 /nfs/dbraw/zinc/84/98/70/426849870.db2.gz GWMVNUSOJIADJO-GDBMZVCRSA-N 1 2 321.417 2.715 20 10 DFCDLO CCCOC(=O)[C@@H](C)[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246614301 426849877 /nfs/dbraw/zinc/84/98/77/426849877.db2.gz GWMVNUSOJIADJO-GDBMZVCRSA-N 1 2 321.417 2.715 20 10 DFCDLO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000283082909 426948166 /nfs/dbraw/zinc/94/81/66/426948166.db2.gz VUXAHPCZYXKCHK-QGZVFWFLSA-N 1 2 316.357 2.740 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000292005492 427054433 /nfs/dbraw/zinc/05/44/33/427054433.db2.gz XOMPYLBJPHBUIZ-CQSZACIVSA-N 1 2 319.792 2.892 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000292005492 427054439 /nfs/dbraw/zinc/05/44/39/427054439.db2.gz XOMPYLBJPHBUIZ-CQSZACIVSA-N 1 2 319.792 2.892 20 10 DFCDLO CCc1nocc1C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000293289833 427273799 /nfs/dbraw/zinc/27/37/99/427273799.db2.gz DEIZBDWTOGFXOQ-UHFFFAOYSA-N 1 2 306.337 2.916 20 10 DFCDLO Cc1cc(CN2CC[NH+](Cc3c(O)cccc3Cl)CC2)no1 ZINC000271031367 427377744 /nfs/dbraw/zinc/37/77/44/427377744.db2.gz IHAAZKPXXWTTRZ-UHFFFAOYSA-N 1 2 321.808 2.660 20 10 DFCDLO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293676519 427403354 /nfs/dbraw/zinc/40/33/54/427403354.db2.gz RATDFUGEFZGZRR-GFCCVEGCSA-N 1 2 310.760 2.709 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000271218416 427456395 /nfs/dbraw/zinc/45/63/95/427456395.db2.gz YCRMMFXTRFYQHZ-ZSDSOXJFSA-N 1 2 308.491 2.874 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000271218416 427456401 /nfs/dbraw/zinc/45/64/01/427456401.db2.gz YCRMMFXTRFYQHZ-ZSDSOXJFSA-N 1 2 308.491 2.874 20 10 DFCDLO Nc1[nH+]cnc(NCc2ccc(N3CCCC3)cc2)c1Cl ZINC000192277571 427513030 /nfs/dbraw/zinc/51/30/30/427513030.db2.gz HAOJKUTZCULFLZ-UHFFFAOYSA-N 1 2 303.797 2.925 20 10 DFCDLO Nc1nc[nH+]c(NCc2ccc(N3CCCC3)cc2)c1Cl ZINC000192277571 427513039 /nfs/dbraw/zinc/51/30/39/427513039.db2.gz HAOJKUTZCULFLZ-UHFFFAOYSA-N 1 2 303.797 2.925 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000271853124 427591881 /nfs/dbraw/zinc/59/18/81/427591881.db2.gz WTWLKROMTCNUFU-UHFFFAOYSA-N 1 2 306.793 2.956 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000369553532 427996971 /nfs/dbraw/zinc/99/69/71/427996971.db2.gz VAHFSRGPQGFNBG-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000369553532 427996977 /nfs/dbraw/zinc/99/69/77/427996977.db2.gz VAHFSRGPQGFNBG-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO CC(C)c1nc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)no1 ZINC000371535593 428394879 /nfs/dbraw/zinc/39/48/79/428394879.db2.gz RLOIVDVLXUOOSU-AWEZNQCLSA-N 1 2 321.352 2.611 20 10 DFCDLO CC(C)c1nc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)no1 ZINC000371535593 428394883 /nfs/dbraw/zinc/39/48/83/428394883.db2.gz RLOIVDVLXUOOSU-AWEZNQCLSA-N 1 2 321.352 2.611 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368417305 429846426 /nfs/dbraw/zinc/84/64/26/429846426.db2.gz QZEFPBXPVWYKLF-OAHLLOKOSA-N 1 2 313.401 2.590 20 10 DFCDLO CC[C@H]([NH2+]CC1(CO)CCOCC1)c1cccc(Cl)c1O ZINC000287905895 288037580 /nfs/dbraw/zinc/03/75/80/288037580.db2.gz ZVNKFRNGYZENCR-AWEZNQCLSA-N 1 2 313.825 2.875 20 10 DFCDLO CC[C@H]([NH2+]C[C@](C)(O)CCOC)c1cccc(Cl)c1O ZINC000287892186 288050293 /nfs/dbraw/zinc/05/02/93/288050293.db2.gz ZBEAKAZVLMJTSN-DZGCQCFKSA-N 1 2 301.814 2.874 20 10 DFCDLO CC[C@H]([NH2+][C@@H](CO)COC)c1cc(Cl)cc(Cl)c1O ZINC000287102655 288063860 /nfs/dbraw/zinc/06/38/60/288063860.db2.gz QDOMVXBBFSRXDM-CABZTGNLSA-N 1 2 308.205 2.747 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273409047 334046365 /nfs/dbraw/zinc/04/63/65/334046365.db2.gz PEZJMOJXSQGVHQ-MGPLVRAMSA-N 1 2 320.320 2.824 20 10 DFCDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000293704975 334201018 /nfs/dbraw/zinc/20/10/18/334201018.db2.gz MKVJQIIGSWFVCI-MNOVXSKESA-N 1 2 314.376 2.873 20 10 DFCDLO CCc1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000298742024 334250900 /nfs/dbraw/zinc/25/09/00/334250900.db2.gz XGCKMTOSICCRCW-UHFFFAOYSA-N 1 2 300.406 2.863 20 10 DFCDLO CCc1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000298742024 334250901 /nfs/dbraw/zinc/25/09/01/334250901.db2.gz XGCKMTOSICCRCW-UHFFFAOYSA-N 1 2 300.406 2.863 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1 ZINC000366767707 334520391 /nfs/dbraw/zinc/52/03/91/334520391.db2.gz YAUCCEXDNNARRU-OAHLLOKOSA-N 1 2 312.417 2.554 20 10 DFCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000180780061 337177883 /nfs/dbraw/zinc/17/78/83/337177883.db2.gz YOUCVQNJSWRTIE-YUELXQCFSA-N 1 2 311.809 2.814 20 10 DFCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000180780061 337177884 /nfs/dbraw/zinc/17/78/84/337177884.db2.gz YOUCVQNJSWRTIE-YUELXQCFSA-N 1 2 311.809 2.814 20 10 DFCDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nnc2n1CCCC2 ZINC000185585437 337249184 /nfs/dbraw/zinc/24/91/84/337249184.db2.gz VQGWWNZEPOLULW-QWRGUYRKSA-N 1 2 304.369 2.871 20 10 DFCDLO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000158101854 519459264 /nfs/dbraw/zinc/45/92/64/519459264.db2.gz TYZNUJDKFANKDN-UHFFFAOYSA-N 1 2 310.825 2.782 20 10 DFCDLO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000228099456 521775307 /nfs/dbraw/zinc/77/53/07/521775307.db2.gz PGEGCQAGDOBBQS-CQSZACIVSA-N 1 2 317.216 2.657 20 10 DFCDLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000228099456 521775311 /nfs/dbraw/zinc/77/53/11/521775311.db2.gz PGEGCQAGDOBBQS-CQSZACIVSA-N 1 2 317.216 2.657 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)cc1F ZINC000129266967 522181371 /nfs/dbraw/zinc/18/13/71/522181371.db2.gz TUAGFJOXKPWCHS-HNNXBMFYSA-N 1 2 321.421 2.922 20 10 DFCDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3nccs3)C2)cc1F ZINC000129266967 522181380 /nfs/dbraw/zinc/18/13/80/522181380.db2.gz TUAGFJOXKPWCHS-HNNXBMFYSA-N 1 2 321.421 2.922 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000132191363 524984679 /nfs/dbraw/zinc/98/46/79/524984679.db2.gz NFLDLAVFWREDCA-NXEZZACHSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)[C@H](C)CO1 ZINC000132191363 524984690 /nfs/dbraw/zinc/98/46/90/524984690.db2.gz NFLDLAVFWREDCA-NXEZZACHSA-N 1 2 300.196 2.764 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228144173 526341877 /nfs/dbraw/zinc/34/18/77/526341877.db2.gz LKTRRJPJIPJKPK-TZMCWYRMSA-N 1 2 312.207 2.908 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228144173 526341882 /nfs/dbraw/zinc/34/18/82/526341882.db2.gz LKTRRJPJIPJKPK-TZMCWYRMSA-N 1 2 312.207 2.908 20 10 DFCDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000365162813 526984874 /nfs/dbraw/zinc/98/48/74/526984874.db2.gz VVWDJGBYCSTAIX-GXTWGEPZSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000365162813 526984877 /nfs/dbraw/zinc/98/48/77/526984877.db2.gz VVWDJGBYCSTAIX-GXTWGEPZSA-N 1 2 309.793 2.616 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1F ZINC000289199447 536147092 /nfs/dbraw/zinc/14/70/92/536147092.db2.gz BFQIJFHGSVZATQ-LBPRGKRZSA-N 1 2 302.340 2.748 20 10 DFCDLO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1F ZINC000289199447 536147095 /nfs/dbraw/zinc/14/70/95/536147095.db2.gz BFQIJFHGSVZATQ-LBPRGKRZSA-N 1 2 302.340 2.748 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000092831191 185344682 /nfs/dbraw/zinc/34/46/82/185344682.db2.gz VJEJLDVWMRODPZ-OAHLLOKOSA-N 1 2 303.431 2.783 20 10 DFCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000092831191 185344683 /nfs/dbraw/zinc/34/46/83/185344683.db2.gz VJEJLDVWMRODPZ-OAHLLOKOSA-N 1 2 303.431 2.783 20 10 DFCDLO Cc1cnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000072629244 398626119 /nfs/dbraw/zinc/62/61/19/398626119.db2.gz WRGXYPCWYDIDQW-OAHLLOKOSA-N 1 2 302.374 2.870 20 10 DFCDLO Cc1cnc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000072629244 398626122 /nfs/dbraw/zinc/62/61/22/398626122.db2.gz WRGXYPCWYDIDQW-OAHLLOKOSA-N 1 2 302.374 2.870 20 10 DFCDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000080238423 192015777 /nfs/dbraw/zinc/01/57/77/192015777.db2.gz PASBDOJIWOOBCS-ZDUSSCGKSA-N 1 2 306.318 2.679 20 10 DFCDLO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184882020 283371033 /nfs/dbraw/zinc/37/10/33/283371033.db2.gz CGIPJFRTWJLQFV-QMMMGPOBSA-N 1 2 305.205 2.876 20 10 DFCDLO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(Cl)c(Cl)c1O ZINC000278820014 299313547 /nfs/dbraw/zinc/31/35/47/299313547.db2.gz OEABVULTWUFAOI-FZNYLWTLSA-N 1 2 320.216 2.890 20 10 DFCDLO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(F)c(F)c1O ZINC000276914334 296121705 /nfs/dbraw/zinc/12/17/05/296121705.db2.gz LJCIOLUQJBGDKE-SNVBAGLBSA-N 1 2 321.389 2.536 20 10 DFCDLO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc(F)c(F)c1O ZINC000276873389 296124992 /nfs/dbraw/zinc/12/49/92/296124992.db2.gz FANRLZSGDSJARW-MRVPVSSYSA-N 1 2 312.282 2.815 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)c(F)c1O ZINC000187675388 296143634 /nfs/dbraw/zinc/14/36/34/296143634.db2.gz WRAPQLVDRXNQCV-BDAKNGLRSA-N 1 2 300.349 2.624 20 10 DFCDLO Cc1nc(N2CC[NH+](Cc3cccc(F)c3O)CC2)sc1C ZINC000272247637 130011577 /nfs/dbraw/zinc/01/15/77/130011577.db2.gz HQZRZYGEJZTTFL-UHFFFAOYSA-N 1 2 321.421 2.927 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCN1CC(F)F ZINC000272297432 130016693 /nfs/dbraw/zinc/01/66/93/130016693.db2.gz PBHUSWHVENDDRF-GFCCVEGCSA-N 1 2 302.340 2.693 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1CC(F)F ZINC000272297432 130016695 /nfs/dbraw/zinc/01/66/95/130016695.db2.gz PBHUSWHVENDDRF-GFCCVEGCSA-N 1 2 302.340 2.693 20 10 DFCDLO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1O ZINC000273303021 130105544 /nfs/dbraw/zinc/10/55/44/130105544.db2.gz BZLUUZDONBNGSC-JTQLQIEISA-N 1 2 316.313 2.880 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000273444031 130122945 /nfs/dbraw/zinc/12/29/45/130122945.db2.gz ZJVGEWBDXYELDY-QFYYESIMSA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])ccc1O ZINC000273605163 130144112 /nfs/dbraw/zinc/14/41/12/130144112.db2.gz TWUUTNAIXMTZDP-YPMHNXCESA-N 1 2 314.341 2.955 20 10 DFCDLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273617379 130145697 /nfs/dbraw/zinc/14/56/97/130145697.db2.gz XUGMKHTYPPYTID-NHYWBVRUSA-N 1 2 302.330 2.685 20 10 DFCDLO CCCCNc1cc(NCc2cccc(OC)c2O)nc(N)[nH+]1 ZINC000288070349 131311274 /nfs/dbraw/zinc/31/12/74/131311274.db2.gz VHZSQMYQZUZZSM-UHFFFAOYSA-N 1 2 317.393 2.597 20 10 DFCDLO CCCCNc1cc(NCc2cccc(OC)c2O)[nH+]c(N)n1 ZINC000288070349 131311276 /nfs/dbraw/zinc/31/12/76/131311276.db2.gz VHZSQMYQZUZZSM-UHFFFAOYSA-N 1 2 317.393 2.597 20 10 DFCDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1ccccc1 ZINC000288471919 131326565 /nfs/dbraw/zinc/32/65/65/131326565.db2.gz FUDKEGMOYMSIIN-MEDUHNTESA-N 1 2 302.330 2.512 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](C)[S@@]1=O ZINC000289586386 131398982 /nfs/dbraw/zinc/39/89/82/131398982.db2.gz KFCQISRZVWWTDW-BFKGZMGPSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](C)[S@@]1=O ZINC000289586386 131398984 /nfs/dbraw/zinc/39/89/84/131398984.db2.gz KFCQISRZVWWTDW-BFKGZMGPSA-N 1 2 301.839 2.777 20 10 DFCDLO COc1c(O)c(C[N@H+](C)Cc2occc2C)ccc1[N+](=O)[O-] ZINC000292728345 543017038 /nfs/dbraw/zinc/01/70/38/543017038.db2.gz GANGEVOWPTZYQY-UHFFFAOYSA-N 1 2 306.318 2.842 20 10 DFCDLO COc1c(O)c(C[N@@H+](C)Cc2occc2C)ccc1[N+](=O)[O-] ZINC000292728345 543017043 /nfs/dbraw/zinc/01/70/43/543017043.db2.gz GANGEVOWPTZYQY-UHFFFAOYSA-N 1 2 306.318 2.842 20 10 DFCDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293768780 543020690 /nfs/dbraw/zinc/02/06/90/543020690.db2.gz ZSERHRGRKFFBGV-LBPRGKRZSA-N 1 2 324.787 2.963 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000672811947 544154841 /nfs/dbraw/zinc/15/48/41/544154841.db2.gz RFUXBGHZVNIWNI-UHFFFAOYSA-N 1 2 324.428 2.922 20 10 DFCDLO Cc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000070976852 425979660 /nfs/dbraw/zinc/97/96/60/425979660.db2.gz CMKAKTOAGADHLC-INIZCTEOSA-N 1 2 302.374 2.870 20 10 DFCDLO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000070976852 425979663 /nfs/dbraw/zinc/97/96/63/425979663.db2.gz CMKAKTOAGADHLC-INIZCTEOSA-N 1 2 302.374 2.870 20 10 DFCDLO COc1ccc([N@H+](CCCS(C)(=O)=O)[C@H](C)C2CC2)cc1 ZINC000109773971 426032465 /nfs/dbraw/zinc/03/24/65/426032465.db2.gz SXNXAEKPEMUNOV-CYBMUJFWSA-N 1 2 311.447 2.735 20 10 DFCDLO COc1ccc([N@@H+](CCCS(C)(=O)=O)[C@H](C)C2CC2)cc1 ZINC000109773971 426032467 /nfs/dbraw/zinc/03/24/67/426032467.db2.gz SXNXAEKPEMUNOV-CYBMUJFWSA-N 1 2 311.447 2.735 20 10 DFCDLO COc1cccc(CNC(=O)Nc2ccc(C)[nH+]c2C)c1O ZINC000152174526 426331176 /nfs/dbraw/zinc/33/11/76/426331176.db2.gz HDXGFVUQLGWFQH-UHFFFAOYSA-N 1 2 301.346 2.734 20 10 DFCDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000093417624 426357058 /nfs/dbraw/zinc/35/70/58/426357058.db2.gz WWRNOWKQFJODBZ-ZJUUUORDSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(Br)ccc1O ZINC000093417624 426357060 /nfs/dbraw/zinc/35/70/60/426357060.db2.gz WWRNOWKQFJODBZ-ZJUUUORDSA-N 1 2 300.196 2.764 20 10 DFCDLO CC[C@H]([NH2+]CC(F)(F)CO)c1cc(Br)ccc1O ZINC000186420675 426522958 /nfs/dbraw/zinc/52/29/58/426522958.db2.gz VOASMUNPHBUXOO-JTQLQIEISA-N 1 2 324.165 2.823 20 10 DFCDLO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc([N+](=O)[O-])ccc1O ZINC000273391052 426656218 /nfs/dbraw/zinc/65/62/18/426656218.db2.gz KQQBHNDAPWMMNN-JTQLQIEISA-N 1 2 316.313 2.880 20 10 DFCDLO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000289652887 426671779 /nfs/dbraw/zinc/67/17/79/426671779.db2.gz MVDBUJIBCMFGMM-CYBMUJFWSA-N 1 2 310.825 2.926 20 10 DFCDLO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000289652887 426671785 /nfs/dbraw/zinc/67/17/85/426671785.db2.gz MVDBUJIBCMFGMM-CYBMUJFWSA-N 1 2 310.825 2.926 20 10 DFCDLO CCOC(=O)[C@H]([NH2+]Cc1cccc(OCC)c1O)[C@H](C)CC ZINC000187866438 426701529 /nfs/dbraw/zinc/70/15/29/426701529.db2.gz HZQMHPYYRUDKID-IUODEOHRSA-N 1 2 309.406 2.858 20 10 DFCDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(Cl)c3O)[C@H]2C1 ZINC000246012195 426791627 /nfs/dbraw/zinc/79/16/27/426791627.db2.gz YOUCVQNJSWRTIE-VHDGCEQUSA-N 1 2 311.809 2.814 20 10 DFCDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(Cl)c3O)[C@H]2C1 ZINC000246012195 426791631 /nfs/dbraw/zinc/79/16/31/426791631.db2.gz YOUCVQNJSWRTIE-VHDGCEQUSA-N 1 2 311.809 2.814 20 10 DFCDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)CC1(O)CCOCC1 ZINC000188843744 426792681 /nfs/dbraw/zinc/79/26/81/426792681.db2.gz NPBIXRDJJUTYBX-UHFFFAOYSA-N 1 2 320.216 2.672 20 10 DFCDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)CC1(O)CCOCC1 ZINC000188843744 426792687 /nfs/dbraw/zinc/79/26/87/426792687.db2.gz NPBIXRDJJUTYBX-UHFFFAOYSA-N 1 2 320.216 2.672 20 10 DFCDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180401758 426856698 /nfs/dbraw/zinc/85/66/98/426856698.db2.gz NIEGPURCTVNMQN-NSHDSACASA-N 1 2 315.822 2.526 20 10 DFCDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180401758 426856702 /nfs/dbraw/zinc/85/67/02/426856702.db2.gz NIEGPURCTVNMQN-NSHDSACASA-N 1 2 315.822 2.526 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000282491433 426915301 /nfs/dbraw/zinc/91/53/01/426915301.db2.gz RAWXMNOCVHDMJK-QMTHXVAHSA-N 1 2 316.361 2.762 20 10 DFCDLO Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000282547774 426917418 /nfs/dbraw/zinc/91/74/18/426917418.db2.gz CRHPHQUATDKASZ-ZDUSSCGKSA-N 1 2 319.380 2.810 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(F)c(F)c1O ZINC000283190774 426971363 /nfs/dbraw/zinc/97/13/63/426971363.db2.gz KOQJJJJRBMXSHL-JOYOIKCWSA-N 1 2 310.344 2.522 20 10 DFCDLO CN(C)c1ccc(CN(C(=O)C=Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC000283400270 427008087 /nfs/dbraw/zinc/00/80/87/427008087.db2.gz HCGFTPGVJDEQCF-BJMVGYQFSA-N 1 2 310.401 2.680 20 10 DFCDLO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(F)c(F)c1O ZINC000249124548 427091375 /nfs/dbraw/zinc/09/13/75/427091375.db2.gz UOKGTFOUUJDYFC-FVLGBLRTSA-N 1 2 305.324 2.979 20 10 DFCDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000277511734 427226108 /nfs/dbraw/zinc/22/61/08/427226108.db2.gz WLXDSULEEUAGSY-VHSXEESVSA-N 1 2 319.365 2.783 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nc([C@H](C)OC)no2)c1 ZINC000271210162 427452513 /nfs/dbraw/zinc/45/25/13/427452513.db2.gz LJDMLLKTDFVCRV-NSHDSACASA-N 1 2 321.377 2.513 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nc([C@H](C)OC)no2)c1 ZINC000271210162 427452520 /nfs/dbraw/zinc/45/25/20/427452520.db2.gz LJDMLLKTDFVCRV-NSHDSACASA-N 1 2 321.377 2.513 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000271789993 427583572 /nfs/dbraw/zinc/58/35/72/427583572.db2.gz GOPMXRZHEILGSI-KRWDZBQOSA-N 1 2 303.789 2.969 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294928148 427667668 /nfs/dbraw/zinc/66/76/68/427667668.db2.gz ZIMRROJHQAVQHV-UHFFFAOYSA-N 1 2 313.188 2.984 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc(Cl)c1O ZINC000287868633 427705660 /nfs/dbraw/zinc/70/56/60/427705660.db2.gz XUGRVGADCDCHLO-OCCSQVGLSA-N 1 2 301.839 2.954 20 10 DFCDLO O=C(N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1)C1CCC1 ZINC000371416508 428390142 /nfs/dbraw/zinc/39/01/42/428390142.db2.gz HLLNKFPHGHPVHH-CYBMUJFWSA-N 1 2 308.809 2.536 20 10 DFCDLO O=C(N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1)C1CCC1 ZINC000371416508 428390148 /nfs/dbraw/zinc/39/01/48/428390148.db2.gz HLLNKFPHGHPVHH-CYBMUJFWSA-N 1 2 308.809 2.536 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000373710722 428637886 /nfs/dbraw/zinc/63/78/86/428637886.db2.gz ZZOOFWDDJNQLJS-LSDHHAIUSA-N 1 2 323.820 2.924 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000373710722 428637891 /nfs/dbraw/zinc/63/78/91/428637891.db2.gz ZZOOFWDDJNQLJS-LSDHHAIUSA-N 1 2 323.820 2.924 20 10 DFCDLO CN1CCCc2cc(CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000373916834 428654456 /nfs/dbraw/zinc/65/44/56/428654456.db2.gz HBKPFMRTXWIMNE-HNNXBMFYSA-N 1 2 324.428 2.528 20 10 DFCDLO CN1CCCc2cc(CNC(=O)[C@H]3CCCc4[nH]c[nH+]c43)ccc21 ZINC000373916834 428654462 /nfs/dbraw/zinc/65/44/62/428654462.db2.gz HBKPFMRTXWIMNE-HNNXBMFYSA-N 1 2 324.428 2.528 20 10 DFCDLO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC000374310563 428675180 /nfs/dbraw/zinc/67/51/80/428675180.db2.gz MYRWYQUJEJVDMB-OAHLLOKOSA-N 1 2 317.389 2.781 20 10 DFCDLO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3noc(C(C)C)n3)C2)c1 ZINC000374310563 428675185 /nfs/dbraw/zinc/67/51/85/428675185.db2.gz MYRWYQUJEJVDMB-OAHLLOKOSA-N 1 2 317.389 2.781 20 10 DFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000367535703 429667133 /nfs/dbraw/zinc/66/71/33/429667133.db2.gz KULAJMSHEWFNGQ-QGZVFWFLSA-N 1 2 314.433 2.666 20 10 DFCDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000367535703 429667136 /nfs/dbraw/zinc/66/71/36/429667136.db2.gz KULAJMSHEWFNGQ-QGZVFWFLSA-N 1 2 314.433 2.666 20 10 DFCDLO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000281632937 292689086 /nfs/dbraw/zinc/68/90/86/292689086.db2.gz OLEKTUZIMNVGCJ-DTWKUNHWSA-N 1 2 308.205 2.747 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC000284268553 295258157 /nfs/dbraw/zinc/25/81/57/295258157.db2.gz XIXFBKZTWWZYQN-CQSZACIVSA-N 1 2 323.458 2.663 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@H]1CCCS(=O)(=O)C1 ZINC000284268553 295258159 /nfs/dbraw/zinc/25/81/59/295258159.db2.gz XIXFBKZTWWZYQN-CQSZACIVSA-N 1 2 323.458 2.663 20 10 DFCDLO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(Cl)c(Cl)c1O ZINC000293821758 335117983 /nfs/dbraw/zinc/11/79/83/335117983.db2.gz WJUCFPSTBZHAMJ-BBBLOLIVSA-N 1 2 320.216 2.890 20 10 DFCDLO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460930 334047109 /nfs/dbraw/zinc/04/71/09/334047109.db2.gz CRVYJJIKLSUDJT-QWHCGFSZSA-N 1 2 308.422 2.560 20 10 DFCDLO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460930 334047110 /nfs/dbraw/zinc/04/71/10/334047110.db2.gz CRVYJJIKLSUDJT-QWHCGFSZSA-N 1 2 308.422 2.560 20 10 DFCDLO COc1c(O)c(C[NH+]2CC(C)(C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278404491 334096080 /nfs/dbraw/zinc/09/60/80/334096080.db2.gz OUXJJZCSGBAPOA-UHFFFAOYSA-N 1 2 324.377 2.698 20 10 DFCDLO CCn1c(C)nnc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299649717 334256914 /nfs/dbraw/zinc/25/69/14/334256914.db2.gz RYPBHEUVSORBBT-UHFFFAOYSA-N 1 2 313.449 2.837 20 10 DFCDLO CCn1c(C)nnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299649717 334256916 /nfs/dbraw/zinc/25/69/16/334256916.db2.gz RYPBHEUVSORBBT-UHFFFAOYSA-N 1 2 313.449 2.837 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000362232150 336788883 /nfs/dbraw/zinc/78/88/83/336788883.db2.gz AUGGQXGIRAFSBD-ZDUSSCGKSA-N 1 2 318.808 2.594 20 10 DFCDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc(F)c2O)cn1 ZINC000375462824 337011699 /nfs/dbraw/zinc/01/16/99/337011699.db2.gz UKFXLCFRJJMEFL-AWEZNQCLSA-N 1 2 307.394 2.555 20 10 DFCDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc(F)c2O)cn1 ZINC000375462824 337011700 /nfs/dbraw/zinc/01/17/00/337011700.db2.gz UKFXLCFRJJMEFL-AWEZNQCLSA-N 1 2 307.394 2.555 20 10 DFCDLO COc1ccc(O)c([C@H](C)[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000377613676 337056258 /nfs/dbraw/zinc/05/62/58/337056258.db2.gz FETQAYSAYZUKAN-SJCJKPOMSA-N 1 2 324.384 2.959 20 10 DFCDLO Oc1ccccc1C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000179583962 337170380 /nfs/dbraw/zinc/17/03/80/337170380.db2.gz ZFPCJEWYECBBRO-UHFFFAOYSA-N 1 2 306.369 2.667 20 10 DFCDLO Oc1ccccc1C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000179583962 337170381 /nfs/dbraw/zinc/17/03/81/337170381.db2.gz ZFPCJEWYECBBRO-UHFFFAOYSA-N 1 2 306.369 2.667 20 10 DFCDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000186973434 337261935 /nfs/dbraw/zinc/26/19/35/337261935.db2.gz PPRSCHSYRBRLAU-UHFFFAOYSA-N 1 2 309.325 2.751 20 10 DFCDLO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000190146172 337285168 /nfs/dbraw/zinc/28/51/68/337285168.db2.gz ONWNNEPQVKQBPW-CHWSQXEVSA-N 1 2 323.780 2.699 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000525942598 337290024 /nfs/dbraw/zinc/29/00/24/337290024.db2.gz OVSXIMVCMKBQKQ-CQSZACIVSA-N 1 2 322.412 2.562 20 10 DFCDLO CCOC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179930338 520937461 /nfs/dbraw/zinc/93/74/61/520937461.db2.gz LBDILVZUVZKHEJ-UHFFFAOYSA-N 1 2 312.797 2.710 20 10 DFCDLO CCOC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179930338 520937465 /nfs/dbraw/zinc/93/74/65/520937465.db2.gz LBDILVZUVZKHEJ-UHFFFAOYSA-N 1 2 312.797 2.710 20 10 DFCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1F ZINC000128305585 522180505 /nfs/dbraw/zinc/18/05/05/522180505.db2.gz HWLIFFCUNWILQH-UHFFFAOYSA-N 1 2 321.440 2.582 20 10 DFCDLO Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc[nH+]1 ZINC000190982161 525196695 /nfs/dbraw/zinc/19/66/95/525196695.db2.gz LBTLXGMXMKWPAG-NSHDSACASA-N 1 2 301.346 2.554 20 10 DFCDLO Cc1csc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180035074 526445434 /nfs/dbraw/zinc/44/54/34/526445434.db2.gz CQZALPOQEJJBNT-CQSZACIVSA-N 1 2 308.378 2.870 20 10 DFCDLO Cc1csc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)n1 ZINC000180035074 526445439 /nfs/dbraw/zinc/44/54/39/526445439.db2.gz CQZALPOQEJJBNT-CQSZACIVSA-N 1 2 308.378 2.870 20 10 DFCDLO O=C(c1ccco1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000158482806 526831178 /nfs/dbraw/zinc/83/11/78/526831178.db2.gz KTUROYBFEXWSLI-UHFFFAOYSA-N 1 2 320.776 2.597 20 10 DFCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000365162821 526984099 /nfs/dbraw/zinc/98/40/99/526984099.db2.gz VVWDJGBYCSTAIX-OCCSQVGLSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000365162821 526984103 /nfs/dbraw/zinc/98/41/03/526984103.db2.gz VVWDJGBYCSTAIX-OCCSQVGLSA-N 1 2 309.793 2.616 20 10 DFCDLO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc(Cl)c1O ZINC000287823200 535944501 /nfs/dbraw/zinc/94/45/01/535944501.db2.gz VICCQTWFFFQDHR-UONOGXRCSA-N 1 2 309.797 2.553 20 10 DFCDLO Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cn(C)c[nH+]1 ZINC000684844215 546289878 /nfs/dbraw/zinc/28/98/78/546289878.db2.gz MUANIMVFJKAVRI-WDZFZDKYSA-N 1 2 312.398 2.753 20 10 DFCDLO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276889523 291183644 /nfs/dbraw/zinc/18/36/44/291183644.db2.gz HMHJSHLOEMFXJQ-SECBINFHSA-N 1 2 314.332 2.552 20 10 DFCDLO C[C@H]([NH2+]CCCOCCO)c1ccc(Cl)c(Cl)c1O ZINC000186514551 299294275 /nfs/dbraw/zinc/29/42/75/299294275.db2.gz DSGSYGCGLGLXDD-VIFPVBQESA-N 1 2 308.205 2.749 20 10 DFCDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093360896 193238801 /nfs/dbraw/zinc/23/88/01/193238801.db2.gz BAUAZDGGKCDNDI-SECBINFHSA-N 1 2 317.216 2.657 20 10 DFCDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000093360896 193238803 /nfs/dbraw/zinc/23/88/03/193238803.db2.gz BAUAZDGGKCDNDI-SECBINFHSA-N 1 2 317.216 2.657 20 10 DFCDLO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000273591123 299412755 /nfs/dbraw/zinc/41/27/55/299412755.db2.gz PGDOAMABCFMSBA-YUMQZZPRSA-N 1 2 303.189 2.580 20 10 DFCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@H](C)CS(=O)(=O)CC ZINC000180250084 285105439 /nfs/dbraw/zinc/10/54/39/285105439.db2.gz UEDVRIAHSKYBAW-LLVKDONJSA-N 1 2 319.854 2.691 20 10 DFCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@H](C)CS(=O)(=O)CC ZINC000180250084 285105442 /nfs/dbraw/zinc/10/54/42/285105442.db2.gz UEDVRIAHSKYBAW-LLVKDONJSA-N 1 2 319.854 2.691 20 10 DFCDLO COC(=O)c1ccc(O)c([C@@H](C)NCC[N@H+](C)C2CCCC2)c1 ZINC000273361077 130110572 /nfs/dbraw/zinc/11/05/72/130110572.db2.gz AKPZYESBJMETIW-CYBMUJFWSA-N 1 2 320.433 2.704 20 10 DFCDLO COC(=O)c1ccc(O)c([C@@H](C)NCC[N@@H+](C)C2CCCC2)c1 ZINC000273361077 130110574 /nfs/dbraw/zinc/11/05/74/130110574.db2.gz AKPZYESBJMETIW-CYBMUJFWSA-N 1 2 320.433 2.704 20 10 DFCDLO C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(F)c(F)c1O ZINC000276863288 130553665 /nfs/dbraw/zinc/55/36/65/130553665.db2.gz CVZHCIJBZOFRPD-VIFPVBQESA-N 1 2 312.291 2.934 20 10 DFCDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1ccccc1 ZINC000288471918 131326807 /nfs/dbraw/zinc/32/68/07/131326807.db2.gz FUDKEGMOYMSIIN-BZNIZROVSA-N 1 2 302.330 2.512 20 10 DFCDLO CCCC[N@H+](Cc1noc(CCOC)n1)Cc1ccccc1O ZINC000289484000 131389486 /nfs/dbraw/zinc/38/94/86/131389486.db2.gz YGNAFDFIXCARHY-UHFFFAOYSA-N 1 2 319.405 2.766 20 10 DFCDLO CCCC[N@@H+](Cc1noc(CCOC)n1)Cc1ccccc1O ZINC000289484000 131389487 /nfs/dbraw/zinc/38/94/87/131389487.db2.gz YGNAFDFIXCARHY-UHFFFAOYSA-N 1 2 319.405 2.766 20 10 DFCDLO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000276930241 285817580 /nfs/dbraw/zinc/81/75/80/285817580.db2.gz OAFMQUYHDHAOKI-ZJUUUORDSA-N 1 2 314.332 2.552 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000271789997 296589858 /nfs/dbraw/zinc/58/98/58/296589858.db2.gz GOPMXRZHEILGSI-QGZVFWFLSA-N 1 2 303.789 2.969 20 10 DFCDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133038727 426170955 /nfs/dbraw/zinc/17/09/55/426170955.db2.gz YNGVTUZBCMHXQZ-LBPRGKRZSA-N 1 2 317.216 2.800 20 10 DFCDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000133038727 426170960 /nfs/dbraw/zinc/17/09/60/426170960.db2.gz YNGVTUZBCMHXQZ-LBPRGKRZSA-N 1 2 317.216 2.800 20 10 DFCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090969763 426335956 /nfs/dbraw/zinc/33/59/56/426335956.db2.gz UKGZFXXTZDIASZ-CYBMUJFWSA-N 1 2 317.412 2.795 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000093645152 426358501 /nfs/dbraw/zinc/35/85/01/426358501.db2.gz ZSLPYIIICOUJOJ-ZDUSSCGKSA-N 1 2 312.207 2.766 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000093645152 426358505 /nfs/dbraw/zinc/35/85/05/426358505.db2.gz ZSLPYIIICOUJOJ-ZDUSSCGKSA-N 1 2 312.207 2.766 20 10 DFCDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000122682578 426388783 /nfs/dbraw/zinc/38/87/83/426388783.db2.gz UHZLODVQGYPKEE-GFCCVEGCSA-N 1 2 317.216 2.752 20 10 DFCDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000122682578 426388786 /nfs/dbraw/zinc/38/87/86/426388786.db2.gz UHZLODVQGYPKEE-GFCCVEGCSA-N 1 2 317.216 2.752 20 10 DFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)NCc1[nH+]ccn1C ZINC000264295604 426530906 /nfs/dbraw/zinc/53/09/06/426530906.db2.gz KZNPHSIFMPZXKE-UHFFFAOYSA-N 1 2 314.414 2.819 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCSCC1 ZINC000226246022 426618583 /nfs/dbraw/zinc/61/85/83/426618583.db2.gz KOFXHNVJKWFKGR-UHFFFAOYSA-N 1 2 321.273 2.837 20 10 DFCDLO COCc1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cs1 ZINC000290011847 426679040 /nfs/dbraw/zinc/67/90/40/426679040.db2.gz ZWSQSVGCEPKJEV-VIFPVBQESA-N 1 2 323.374 2.754 20 10 DFCDLO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187753250 426691059 /nfs/dbraw/zinc/69/10/59/426691059.db2.gz ZXASUYAZMCRIPF-VWYCJHECSA-N 1 2 301.333 2.515 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)no1 ZINC000290157453 426704873 /nfs/dbraw/zinc/70/48/73/426704873.db2.gz LSCOQYIAMACXNT-ZJUUUORDSA-N 1 2 309.341 2.863 20 10 DFCDLO CCOC(=O)[C@@H]([NH2+]Cc1cccc(OCC)c1O)[C@H](C)CC ZINC000187866381 426702091 /nfs/dbraw/zinc/70/20/91/426702091.db2.gz HZQMHPYYRUDKID-DOMZBBRYSA-N 1 2 309.406 2.858 20 10 DFCDLO COc1cc(O)c(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000179780250 426817105 /nfs/dbraw/zinc/81/71/05/426817105.db2.gz SYYAIIJRNHWTBN-LBPRGKRZSA-N 1 2 317.389 2.512 20 10 DFCDLO COc1cc(O)c(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1OC ZINC000179780250 426817107 /nfs/dbraw/zinc/81/71/07/426817107.db2.gz SYYAIIJRNHWTBN-LBPRGKRZSA-N 1 2 317.389 2.512 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248877445 427056090 /nfs/dbraw/zinc/05/60/90/427056090.db2.gz OGPNBQYAFKNPFL-KGLIPLIRSA-N 1 2 315.772 2.565 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248877445 427056093 /nfs/dbraw/zinc/05/60/93/427056093.db2.gz OGPNBQYAFKNPFL-KGLIPLIRSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1O ZINC000276947743 427129364 /nfs/dbraw/zinc/12/93/64/427129364.db2.gz QIWNIGLRUCEGOO-BMIGLBTASA-N 1 2 316.417 2.758 20 10 DFCDLO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276998796 427132114 /nfs/dbraw/zinc/13/21/14/427132114.db2.gz YYILJOWRIXNYBI-GCVQQVDUSA-N 1 2 312.360 2.768 20 10 DFCDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000183244255 427231722 /nfs/dbraw/zinc/23/17/22/427231722.db2.gz LVHWBJWGJGIXRG-MRXNPFEDSA-N 1 2 315.344 2.631 20 10 DFCDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(F)ccc1O ZINC000183244255 427231727 /nfs/dbraw/zinc/23/17/27/427231727.db2.gz LVHWBJWGJGIXRG-MRXNPFEDSA-N 1 2 315.344 2.631 20 10 DFCDLO C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000285531768 427264059 /nfs/dbraw/zinc/26/40/59/427264059.db2.gz PFFJKFBZJGPVMM-KWQFWETISA-N 1 2 302.237 2.996 20 10 DFCDLO COC(=O)COc1ccc(N(C)Cc2[nH+]ccn2C(C)C)cc1 ZINC000183803022 427346290 /nfs/dbraw/zinc/34/62/90/427346290.db2.gz VMHPOGKCZQJBSG-UHFFFAOYSA-N 1 2 317.389 2.652 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOCC23CCCC3)c1O ZINC000270663028 427363197 /nfs/dbraw/zinc/36/31/97/427363197.db2.gz QTZFKHMKGGGAKE-UHFFFAOYSA-N 1 2 307.365 2.879 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOCC23CCCC3)c1O ZINC000270663028 427363201 /nfs/dbraw/zinc/36/32/01/427363201.db2.gz QTZFKHMKGGGAKE-UHFFFAOYSA-N 1 2 307.365 2.879 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271903976 427593800 /nfs/dbraw/zinc/59/38/00/427593800.db2.gz ZXRLOBMQAXPAED-ADWYPQAOSA-N 1 2 301.839 2.695 20 10 DFCDLO COc1nccnc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294569459 427645146 /nfs/dbraw/zinc/64/51/46/427645146.db2.gz ODJGNNAKVGKPQL-UHFFFAOYSA-N 1 2 312.417 2.716 20 10 DFCDLO COc1nccnc1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294569459 427645159 /nfs/dbraw/zinc/64/51/59/427645159.db2.gz ODJGNNAKVGKPQL-UHFFFAOYSA-N 1 2 312.417 2.716 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000294674992 427647731 /nfs/dbraw/zinc/64/77/31/427647731.db2.gz BBMUVDSWMDPTJO-OAHLLOKOSA-N 1 2 301.390 2.717 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2CC(C)(C)[C@H]2c2nccn2C)c1 ZINC000294674992 427647739 /nfs/dbraw/zinc/64/77/39/427647739.db2.gz BBMUVDSWMDPTJO-OAHLLOKOSA-N 1 2 301.390 2.717 20 10 DFCDLO C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000294697171 427647760 /nfs/dbraw/zinc/64/77/60/427647760.db2.gz NWWKFEJDQFJNRZ-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000294697171 427647766 /nfs/dbraw/zinc/64/77/66/427647766.db2.gz NWWKFEJDQFJNRZ-BONVTDFDSA-N 1 2 315.772 2.565 20 10 DFCDLO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)c(=O)n1C ZINC000279440378 427671819 /nfs/dbraw/zinc/67/18/19/427671819.db2.gz HJMQYYPHLIMUBK-JTQLQIEISA-N 1 2 308.328 2.528 20 10 DFCDLO Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)[nH+]1 ZINC000193962142 427724569 /nfs/dbraw/zinc/72/45/69/427724569.db2.gz NHKOYTIHGGFVMO-NSHDSACASA-N 1 2 315.373 2.862 20 10 DFCDLO COC(=O)[C@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000279965481 427727309 /nfs/dbraw/zinc/72/73/09/427727309.db2.gz PLOUSXWCFVORGG-ZDUSSCGKSA-N 1 2 315.369 2.622 20 10 DFCDLO CN(C)c1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1F ZINC000369751543 428053449 /nfs/dbraw/zinc/05/34/49/428053449.db2.gz XUCRBFRERRGOAB-UHFFFAOYSA-N 1 2 323.375 3.356 20 10 DFCDLO CCOc1cccc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000372900573 428505454 /nfs/dbraw/zinc/50/54/54/428505454.db2.gz AMUMLOIQXDAOGF-INIZCTEOSA-N 1 2 324.384 2.788 20 10 DFCDLO CN1CCCc2cc(CNC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)ccc21 ZINC000373916835 428654635 /nfs/dbraw/zinc/65/46/35/428654635.db2.gz HBKPFMRTXWIMNE-OAHLLOKOSA-N 1 2 324.428 2.528 20 10 DFCDLO CN1CCCc2cc(CNC(=O)[C@@H]3CCCc4[nH]c[nH+]c43)ccc21 ZINC000373916835 428654642 /nfs/dbraw/zinc/65/46/42/428654642.db2.gz HBKPFMRTXWIMNE-OAHLLOKOSA-N 1 2 324.428 2.528 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000492814605 429621579 /nfs/dbraw/zinc/62/15/79/429621579.db2.gz UWSRFRICZJBSNA-QHHAFSJGSA-N 1 2 312.348 2.578 20 10 DFCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1cc(F)ccc1O ZINC000368120347 429791809 /nfs/dbraw/zinc/79/18/09/429791809.db2.gz ONPDHLZVHRXXGQ-QGZVFWFLSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(F)ccc1O ZINC000368120347 429791813 /nfs/dbraw/zinc/79/18/13/429791813.db2.gz ONPDHLZVHRXXGQ-QGZVFWFLSA-N 1 2 314.360 2.513 20 10 DFCDLO C[C@H]([NH2+]CC1CC(O)C1)c1cc(Br)c(F)cc1O ZINC000528020512 429836596 /nfs/dbraw/zinc/83/65/96/429836596.db2.gz ZUUSNJWUYGCPOV-UEJVZZJDSA-N 1 2 318.186 2.715 20 10 DFCDLO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(Br)c(F)cc1O ZINC000528020510 429836658 /nfs/dbraw/zinc/83/66/58/429836658.db2.gz ZUUSNJWUYGCPOV-AFPNSQJFSA-N 1 2 318.186 2.715 20 10 DFCDLO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(Br)cc(F)c1O ZINC000528018699 429836965 /nfs/dbraw/zinc/83/69/65/429836965.db2.gz OMGIRPTXADIGOQ-ZNFPMYQNSA-N 1 2 318.186 2.715 20 10 DFCDLO OC[C@@]1([NH2+]Cc2cccc(Cl)c2O)COc2ccccc2C1 ZINC000529644929 430045561 /nfs/dbraw/zinc/04/55/61/430045561.db2.gz RGDPPKWVJGSIIJ-QGZVFWFLSA-N 1 2 319.788 2.501 20 10 DFCDLO CC[C@H]([NH2+]CC(C)(C)OCCO)c1cccc(Cl)c1O ZINC000287260143 288037009 /nfs/dbraw/zinc/03/70/09/288037009.db2.gz IKXHEKVBMBMYTL-ZDUSSCGKSA-N 1 2 301.814 2.874 20 10 DFCDLO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1O ZINC000287765788 288078078 /nfs/dbraw/zinc/07/80/78/288078078.db2.gz REOGIBCGBLQWNK-MFKMUULPSA-N 1 2 319.854 2.910 20 10 DFCDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCCOC2)O1 ZINC000366463082 300270792 /nfs/dbraw/zinc/27/07/92/300270792.db2.gz NVATURXSMPEAHV-BLLLJJGKSA-N 1 2 311.809 2.816 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCCOC2)O1 ZINC000366463082 300270796 /nfs/dbraw/zinc/27/07/96/300270796.db2.gz NVATURXSMPEAHV-BLLLJJGKSA-N 1 2 311.809 2.816 20 10 DFCDLO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000172070353 332705997 /nfs/dbraw/zinc/70/59/97/332705997.db2.gz ARGSOSAJMVHNIV-CYBMUJFWSA-N 1 2 308.205 2.576 20 10 DFCDLO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(Cl)c(Cl)c1O ZINC000185264826 333206532 /nfs/dbraw/zinc/20/65/32/333206532.db2.gz NVTHXGRFBZZGTG-MRVPVSSYSA-N 1 2 305.205 2.828 20 10 DFCDLO Cn1ccnc1[C@H]([NH2+]Cc1cccc(Cl)c1O)C(C)(C)CO ZINC000295114490 335132180 /nfs/dbraw/zinc/13/21/80/335132180.db2.gz VMEMNYUGUOZXKP-AWEZNQCLSA-N 1 2 323.824 2.629 20 10 DFCDLO CCC1(O)CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000267411503 333983118 /nfs/dbraw/zinc/98/31/18/333983118.db2.gz UEOXGXPMORQIBS-UHFFFAOYSA-N 1 2 311.809 2.985 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000279243818 334107035 /nfs/dbraw/zinc/10/70/35/334107035.db2.gz GHQDZHPPSHHPPX-QFYYESIMSA-N 1 2 307.365 2.733 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000279243818 334107037 /nfs/dbraw/zinc/10/70/37/334107037.db2.gz GHQDZHPPSHHPPX-QFYYESIMSA-N 1 2 307.365 2.733 20 10 DFCDLO CC(C)c1nc(N(C)C)nc(NCc2ccc(N(C)C)cc2)[nH+]1 ZINC000301946187 336339227 /nfs/dbraw/zinc/33/92/27/336339227.db2.gz XJOQBPKSHVZPKF-UHFFFAOYSA-N 1 2 314.437 2.739 20 10 DFCDLO CC(C)c1nc(NCc2ccc(N(C)C)cc2)nc(N(C)C)[nH+]1 ZINC000301946187 336339228 /nfs/dbraw/zinc/33/92/28/336339228.db2.gz XJOQBPKSHVZPKF-UHFFFAOYSA-N 1 2 314.437 2.739 20 10 DFCDLO Cc1nc([C@@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)no1 ZINC000375017084 337001687 /nfs/dbraw/zinc/00/16/87/337001687.db2.gz GNWWXJCRWSBSAY-ZDUSSCGKSA-N 1 2 323.780 2.619 20 10 DFCDLO Cc1nc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)no1 ZINC000375017084 337001688 /nfs/dbraw/zinc/00/16/88/337001688.db2.gz GNWWXJCRWSBSAY-ZDUSSCGKSA-N 1 2 323.780 2.619 20 10 DFCDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000376022068 337025496 /nfs/dbraw/zinc/02/54/96/337025496.db2.gz RDEWJIUZGGTFCF-INIZCTEOSA-N 1 2 311.809 2.816 20 10 DFCDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000376022068 337025497 /nfs/dbraw/zinc/02/54/97/337025497.db2.gz RDEWJIUZGGTFCF-INIZCTEOSA-N 1 2 311.809 2.816 20 10 DFCDLO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000377613677 337056285 /nfs/dbraw/zinc/05/62/85/337056285.db2.gz FETQAYSAYZUKAN-SJKOYZFVSA-N 1 2 324.384 2.959 20 10 DFCDLO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nnc2n1CCCC2 ZINC000191229916 337295063 /nfs/dbraw/zinc/29/50/63/337295063.db2.gz IZTMKYKSBWXXPE-SECBINFHSA-N 1 2 324.787 2.963 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cc(Br)ccc21 ZINC000492862923 339910951 /nfs/dbraw/zinc/91/09/51/339910951.db2.gz LONKHBJSKOSYAT-DUXPYHPUSA-N 1 2 318.174 2.775 20 10 DFCDLO COc1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)cn1 ZINC000529663079 340766996 /nfs/dbraw/zinc/76/69/96/340766996.db2.gz UWYNZNZDIDQEBH-UHFFFAOYSA-N 1 2 310.756 2.921 20 10 DFCDLO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179940063 519890126 /nfs/dbraw/zinc/89/01/26/519890126.db2.gz MIZKEQKNMDHMNQ-CYBMUJFWSA-N 1 2 310.825 2.784 20 10 DFCDLO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179940063 519890127 /nfs/dbraw/zinc/89/01/27/519890127.db2.gz MIZKEQKNMDHMNQ-CYBMUJFWSA-N 1 2 310.825 2.784 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1F ZINC000129267165 522179455 /nfs/dbraw/zinc/17/94/55/522179455.db2.gz TUAGFJOXKPWCHS-OAHLLOKOSA-N 1 2 321.421 2.922 20 10 DFCDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)cc1F ZINC000129267165 522179463 /nfs/dbraw/zinc/17/94/63/522179463.db2.gz TUAGFJOXKPWCHS-OAHLLOKOSA-N 1 2 321.421 2.922 20 10 DFCDLO CCc1nnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000157512328 522288678 /nfs/dbraw/zinc/28/86/78/522288678.db2.gz KHILOHDRDHDOFH-UHFFFAOYSA-N 1 2 313.449 2.989 20 10 DFCDLO CCc1nnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000157512328 522288681 /nfs/dbraw/zinc/28/86/81/522288681.db2.gz KHILOHDRDHDOFH-UHFFFAOYSA-N 1 2 313.449 2.989 20 10 DFCDLO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276889528 291183072 /nfs/dbraw/zinc/18/30/72/291183072.db2.gz HMHJSHLOEMFXJQ-VIFPVBQESA-N 1 2 314.332 2.552 20 10 DFCDLO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273574668 299321320 /nfs/dbraw/zinc/32/13/20/299321320.db2.gz LNBUPYQKPUHSTP-BONVTDFDSA-N 1 2 322.386 2.920 20 10 DFCDLO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(F)c(F)c1O ZINC000187806581 299323512 /nfs/dbraw/zinc/32/35/12/299323512.db2.gz LZOLYSOVVMOGII-JTQLQIEISA-N 1 2 307.344 2.982 20 10 DFCDLO COc1cccc(C[N@@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000093459958 193255620 /nfs/dbraw/zinc/25/56/20/193255620.db2.gz MFNOJLHMGHUDEB-CQSZACIVSA-N 1 2 303.358 2.876 20 10 DFCDLO COc1cccc(C[N@H+]2CCOC[C@@H]2c2ccc(C)o2)c1O ZINC000093459958 193255621 /nfs/dbraw/zinc/25/56/21/193255621.db2.gz MFNOJLHMGHUDEB-CQSZACIVSA-N 1 2 303.358 2.876 20 10 DFCDLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)c(C)n1-c1ccccn1 ZINC000063663103 399200449 /nfs/dbraw/zinc/20/04/49/399200449.db2.gz DMCXSPUMEFEIHW-UHFFFAOYSA-N 1 2 323.400 2.506 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000105486825 194106660 /nfs/dbraw/zinc/10/66/60/194106660.db2.gz OGJUDXZXRGIFEH-CQSZACIVSA-N 1 2 300.314 2.783 20 10 DFCDLO O=C(c1ccsc1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272209708 130007378 /nfs/dbraw/zinc/00/73/78/130007378.db2.gz ACKXDHVUEDULGO-UHFFFAOYSA-N 1 2 320.389 2.551 20 10 DFCDLO O=C(c1ccsc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272252253 130013754 /nfs/dbraw/zinc/01/37/54/130013754.db2.gz IORLSCYMYFAABF-UHFFFAOYSA-N 1 2 320.389 2.551 20 10 DFCDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000273388053 130115839 /nfs/dbraw/zinc/11/58/39/130115839.db2.gz KBYWLHRQCJVRFX-LLVKDONJSA-N 1 2 316.361 2.612 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000273444036 130121818 /nfs/dbraw/zinc/12/18/18/130121818.db2.gz ZJVGEWBDXYELDY-QLJPJBMISA-N 1 2 320.320 2.824 20 10 DFCDLO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273605177 130143625 /nfs/dbraw/zinc/14/36/25/130143625.db2.gz TXDHOUXVFOIJBY-BDAKNGLRSA-N 1 2 322.283 2.918 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3cncc(F)c3)CC2)cc1 ZINC000275146454 130295848 /nfs/dbraw/zinc/29/58/48/130295848.db2.gz QRCCUKXMFXNXSM-UHFFFAOYSA-N 1 2 301.365 2.552 20 10 DFCDLO CC[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc(Cl)c1O ZINC000287199791 131268569 /nfs/dbraw/zinc/26/85/69/131268569.db2.gz WGQKIMASWQYSDF-HXPMCKFVSA-N 1 2 301.839 2.997 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000120825076 132147519 /nfs/dbraw/zinc/14/75/19/132147519.db2.gz SUZWHHNOPIFCNH-HOTGVXAUSA-N 1 2 307.365 2.877 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000120825076 132147521 /nfs/dbraw/zinc/14/75/21/132147521.db2.gz SUZWHHNOPIFCNH-HOTGVXAUSA-N 1 2 307.365 2.877 20 10 DFCDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000292718229 543016339 /nfs/dbraw/zinc/01/63/39/543016339.db2.gz FPFZMEOEHQWLEQ-ZDUSSCGKSA-N 1 2 318.421 2.783 20 10 DFCDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000292718229 543016342 /nfs/dbraw/zinc/01/63/42/543016342.db2.gz FPFZMEOEHQWLEQ-ZDUSSCGKSA-N 1 2 318.421 2.783 20 10 DFCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@@H]2C)c1O ZINC000124547596 425925418 /nfs/dbraw/zinc/92/54/18/425925418.db2.gz MEJPAYVUEIIDCG-JTQLQIEISA-N 1 2 300.196 2.684 20 10 DFCDLO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000132863239 426171105 /nfs/dbraw/zinc/17/11/05/426171105.db2.gz HHNDAVHXLFCPSM-UHFFFAOYSA-N 1 2 305.205 2.786 20 10 DFCDLO CCCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000132863239 426171106 /nfs/dbraw/zinc/17/11/06/426171106.db2.gz HHNDAVHXLFCPSM-UHFFFAOYSA-N 1 2 305.205 2.786 20 10 DFCDLO CCC[N@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccnc1 ZINC000154156574 426427696 /nfs/dbraw/zinc/42/76/96/426427696.db2.gz HRMABLJRCAXGFA-KRWDZBQOSA-N 1 2 314.385 2.914 20 10 DFCDLO CCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)c1cccnc1 ZINC000154156574 426427698 /nfs/dbraw/zinc/42/76/98/426427698.db2.gz HRMABLJRCAXGFA-KRWDZBQOSA-N 1 2 314.385 2.914 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)[S@]1=O ZINC000289586383 426668714 /nfs/dbraw/zinc/66/87/14/426668714.db2.gz KFCQISRZVWWTDW-ZDCWMAILSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)[S@]1=O ZINC000289586383 426668719 /nfs/dbraw/zinc/66/87/19/426668719.db2.gz KFCQISRZVWWTDW-ZDCWMAILSA-N 1 2 301.839 2.777 20 10 DFCDLO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(F)c(F)c1O ZINC000289607444 426670210 /nfs/dbraw/zinc/67/02/10/426670210.db2.gz CWJQENPYYCAXMU-JTQLQIEISA-N 1 2 307.344 2.982 20 10 DFCDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)no1 ZINC000290059767 426683599 /nfs/dbraw/zinc/68/35/99/426683599.db2.gz XQMUTWBXBXYWJS-ZDUSSCGKSA-N 1 2 318.421 2.911 20 10 DFCDLO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(F)c(F)c1O ZINC000187724417 426689314 /nfs/dbraw/zinc/68/93/14/426689314.db2.gz AMFZUYJFTGJZEB-GSDQLPOLSA-N 1 2 305.390 2.868 20 10 DFCDLO OCCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000179575971 426803679 /nfs/dbraw/zinc/80/36/79/426803679.db2.gz PFBSOOLDWMEWGO-LBPRGKRZSA-N 1 2 320.216 2.672 20 10 DFCDLO OCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000179575971 426803686 /nfs/dbraw/zinc/80/36/86/426803686.db2.gz PFBSOOLDWMEWGO-LBPRGKRZSA-N 1 2 320.216 2.672 20 10 DFCDLO CCCOC(=O)[C@H](C)[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246614321 426849127 /nfs/dbraw/zinc/84/91/27/426849127.db2.gz GWMVNUSOJIADJO-GOEBONIOSA-N 1 2 321.417 2.715 20 10 DFCDLO CCCOC(=O)[C@H](C)[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000246614321 426849133 /nfs/dbraw/zinc/84/91/33/426849133.db2.gz GWMVNUSOJIADJO-GOEBONIOSA-N 1 2 321.417 2.715 20 10 DFCDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(Cl)c3O)[C@H]2C1 ZINC000246012191 426791194 /nfs/dbraw/zinc/79/11/94/426791194.db2.gz YOUCVQNJSWRTIE-SNPRPXQTSA-N 1 2 311.809 2.814 20 10 DFCDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(Cl)c3O)[C@H]2C1 ZINC000246012191 426791196 /nfs/dbraw/zinc/79/11/96/426791196.db2.gz YOUCVQNJSWRTIE-SNPRPXQTSA-N 1 2 311.809 2.814 20 10 DFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000282579623 426919569 /nfs/dbraw/zinc/91/95/69/426919569.db2.gz BBZIQYORWCLGAK-JXMROGBWSA-N 1 2 312.417 2.926 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)no1 ZINC000291050845 426874695 /nfs/dbraw/zinc/87/46/95/426874695.db2.gz ZWARXKRWRFIBTC-LBPRGKRZSA-N 1 2 305.378 2.779 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(F)c(F)c1O ZINC000283190769 426972720 /nfs/dbraw/zinc/97/27/20/426972720.db2.gz KOQJJJJRBMXSHL-BXKDBHETSA-N 1 2 310.344 2.522 20 10 DFCDLO Cc1cccc2c1N(C1CC1)CCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283254075 426983942 /nfs/dbraw/zinc/98/39/42/426983942.db2.gz UUCOFPBPOKJYOQ-VMPITWQZSA-N 1 2 308.385 2.747 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000295387103 426937792 /nfs/dbraw/zinc/93/77/92/426937792.db2.gz PPAPBQFVMWOLHN-LLVKDONJSA-N 1 2 310.760 2.613 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248839646 427050948 /nfs/dbraw/zinc/05/09/48/427050948.db2.gz KXVUNMLXQPFEPT-DGCLKSJQSA-N 1 2 317.813 2.891 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248839646 427050954 /nfs/dbraw/zinc/05/09/54/427050954.db2.gz KXVUNMLXQPFEPT-DGCLKSJQSA-N 1 2 317.813 2.891 20 10 DFCDLO COc1cccc(C[N@@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000292704292 427196837 /nfs/dbraw/zinc/19/68/37/427196837.db2.gz CQDFEBQPBXBEGG-LBPRGKRZSA-N 1 2 319.323 2.943 20 10 DFCDLO COc1cccc(C[N@H+]2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000292704292 427196845 /nfs/dbraw/zinc/19/68/45/427196845.db2.gz CQDFEBQPBXBEGG-LBPRGKRZSA-N 1 2 319.323 2.943 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000277432255 427200548 /nfs/dbraw/zinc/20/05/48/427200548.db2.gz JORJXGJRPHSUMG-OVWNDWIMSA-N 1 2 301.839 2.554 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000277432255 427200551 /nfs/dbraw/zinc/20/05/51/427200551.db2.gz JORJXGJRPHSUMG-OVWNDWIMSA-N 1 2 301.839 2.554 20 10 DFCDLO COC(=O)[C@@H](C)[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCC1 ZINC000192381767 427533262 /nfs/dbraw/zinc/53/32/62/427533262.db2.gz HFASNMRUZLPLOE-SNVBAGLBSA-N 1 2 323.364 2.650 20 10 DFCDLO COC(=O)[C@@H](C)[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCC1 ZINC000192381767 427533266 /nfs/dbraw/zinc/53/32/66/427533266.db2.gz HFASNMRUZLPLOE-SNVBAGLBSA-N 1 2 323.364 2.650 20 10 DFCDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)cc1O ZINC000184877709 427557252 /nfs/dbraw/zinc/55/72/52/427557252.db2.gz VBYGWLWLVGYJKI-NSHDSACASA-N 1 2 304.369 2.700 20 10 DFCDLO CCn1nc(C)c(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000294624054 427645432 /nfs/dbraw/zinc/64/54/32/427645432.db2.gz YVLCVFJAZDMDJS-UHFFFAOYSA-N 1 2 313.449 2.837 20 10 DFCDLO CCn1nc(C)c(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000294624054 427645437 /nfs/dbraw/zinc/64/54/37/427645437.db2.gz YVLCVFJAZDMDJS-UHFFFAOYSA-N 1 2 313.449 2.837 20 10 DFCDLO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000287876112 427708525 /nfs/dbraw/zinc/70/85/25/427708525.db2.gz YDQIRIHUQYIKTN-QMTHXVAHSA-N 1 2 308.809 2.850 20 10 DFCDLO CCc1nc([C@H]2C[N@H+]([C@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486189 428452557 /nfs/dbraw/zinc/45/25/57/428452557.db2.gz VIHDNOCJIZIFDA-UKRRQHHQSA-N 1 2 316.405 2.597 20 10 DFCDLO CCc1nc([C@H]2C[N@@H+]([C@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486189 428452560 /nfs/dbraw/zinc/45/25/60/428452560.db2.gz VIHDNOCJIZIFDA-UKRRQHHQSA-N 1 2 316.405 2.597 20 10 DFCDLO CCc1nc([C@H]2C[N@H+]([C@@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486187 428453639 /nfs/dbraw/zinc/45/36/39/428453639.db2.gz VIHDNOCJIZIFDA-DZGCQCFKSA-N 1 2 316.405 2.597 20 10 DFCDLO CCc1nc([C@H]2C[N@@H+]([C@@H](CC)c3ccccc3O)CCO2)n[nH]1 ZINC000372486187 428453644 /nfs/dbraw/zinc/45/36/44/428453644.db2.gz VIHDNOCJIZIFDA-DZGCQCFKSA-N 1 2 316.405 2.597 20 10 DFCDLO C[C@H]1OCC[C@]12C[N@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466382 428582437 /nfs/dbraw/zinc/58/24/37/428582437.db2.gz OIQJJNUUIZPHCU-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1c(O)ccc(Cl)c1F)CCO2 ZINC000373466382 428582439 /nfs/dbraw/zinc/58/24/39/428582439.db2.gz OIQJJNUUIZPHCU-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO Cc1nnc(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)s1 ZINC000361100791 428536615 /nfs/dbraw/zinc/53/66/15/428536615.db2.gz AFUFCQHKJCXVHN-UHFFFAOYSA-N 1 2 300.431 2.812 20 10 DFCDLO Cc1nnc(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)s1 ZINC000361100791 428536621 /nfs/dbraw/zinc/53/66/21/428536621.db2.gz AFUFCQHKJCXVHN-UHFFFAOYSA-N 1 2 300.431 2.812 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000373710717 428638009 /nfs/dbraw/zinc/63/80/09/428638009.db2.gz ZZOOFWDDJNQLJS-GJZGRUSLSA-N 1 2 323.820 2.924 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000373710717 428638011 /nfs/dbraw/zinc/63/80/11/428638011.db2.gz ZZOOFWDDJNQLJS-GJZGRUSLSA-N 1 2 323.820 2.924 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1O ZINC000367094981 429577795 /nfs/dbraw/zinc/57/77/95/429577795.db2.gz TZZQZRYZKIOLNK-XHDPSFHLSA-N 1 2 309.793 2.859 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]3COC[C@H]32)c1O ZINC000367094981 429577799 /nfs/dbraw/zinc/57/77/99/429577799.db2.gz TZZQZRYZKIOLNK-XHDPSFHLSA-N 1 2 309.793 2.859 20 10 DFCDLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000367392958 429641283 /nfs/dbraw/zinc/64/12/83/429641283.db2.gz WWNXUIOXYSEXPC-QLJPJBMISA-N 1 2 300.314 2.912 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000367669726 429696609 /nfs/dbraw/zinc/69/66/09/429696609.db2.gz LNTRCZGYICAHOA-CJNGLKHVSA-N 1 2 305.761 2.630 20 10 DFCDLO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(Cl)c1O ZINC000287787307 288036366 /nfs/dbraw/zinc/03/63/66/288036366.db2.gz SMZDUHSVRDZVIZ-JTQLQIEISA-N 1 2 324.730 2.765 20 10 DFCDLO Cc1c[nH+]ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000183280722 279027725 /nfs/dbraw/zinc/02/77/25/279027725.db2.gz ZRQPVYXBZBWYBF-UHFFFAOYSA-N 1 2 312.373 2.887 20 10 DFCDLO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cc([N+](=O)[O-])ccc1O ZINC000273348177 289981774 /nfs/dbraw/zinc/98/17/74/289981774.db2.gz BFMQZAGIXAEVNU-NSHDSACASA-N 1 2 316.361 2.612 20 10 DFCDLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273617380 290036847 /nfs/dbraw/zinc/03/68/47/290036847.db2.gz XUGMKHTYPPYTID-XHDPSFHLSA-N 1 2 302.330 2.685 20 10 DFCDLO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cnn1C ZINC000273391244 300992263 /nfs/dbraw/zinc/99/22/63/300992263.db2.gz KVEITPDCZLYSMB-VHSXEESVSA-N 1 2 304.350 2.754 20 10 DFCDLO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000172070357 332706017 /nfs/dbraw/zinc/70/60/17/332706017.db2.gz ARGSOSAJMVHNIV-ZDUSSCGKSA-N 1 2 308.205 2.576 20 10 DFCDLO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(Cl)c(Cl)c1O ZINC000293821754 335117764 /nfs/dbraw/zinc/11/77/64/335117764.db2.gz WJUCFPSTBZHAMJ-AEJSXWLSSA-N 1 2 320.216 2.890 20 10 DFCDLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000294709012 335125515 /nfs/dbraw/zinc/12/55/15/335125515.db2.gz OPVXHYVMBGXMDJ-WCBMZHEXSA-N 1 2 301.745 2.616 20 10 DFCDLO C[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)CC[S@]1=O ZINC000294772919 335127239 /nfs/dbraw/zinc/12/72/39/335127239.db2.gz TVABGDXYDXFDRZ-ZRNGKTOUSA-N 1 2 305.802 2.528 20 10 DFCDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC[S@]1=O ZINC000294772919 335127241 /nfs/dbraw/zinc/12/72/41/335127241.db2.gz TVABGDXYDXFDRZ-ZRNGKTOUSA-N 1 2 305.802 2.528 20 10 DFCDLO CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1cccc(Cl)c1O ZINC000295870291 335140100 /nfs/dbraw/zinc/14/01/00/335140100.db2.gz GDEWUAACWHDAQW-OAHLLOKOSA-N 1 2 312.841 2.543 20 10 DFCDLO Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273463209 334047268 /nfs/dbraw/zinc/04/72/68/334047268.db2.gz IMCXDBJLECTUBD-GFCCVEGCSA-N 1 2 301.346 2.897 20 10 DFCDLO CCN(CC)c1ccc(CNC(=O)C=Cc2c[nH]c[nH+]2)cc1F ZINC000276504757 334080444 /nfs/dbraw/zinc/08/04/44/334080444.db2.gz ABQHWISOMXBVSO-SOFGYWHQSA-N 1 2 316.380 2.725 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1O ZINC000277667313 334089872 /nfs/dbraw/zinc/08/98/72/334089872.db2.gz PLMJENDVJXATOE-WYRIXSBYSA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)c1O ZINC000277667313 334089874 /nfs/dbraw/zinc/08/98/74/334089874.db2.gz PLMJENDVJXATOE-WYRIXSBYSA-N 1 2 301.839 2.697 20 10 DFCDLO CN(Cc1ccccc1O)c1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301947430 336339341 /nfs/dbraw/zinc/33/93/41/336339341.db2.gz XZTBMSBWZYGBSE-UHFFFAOYSA-N 1 2 311.389 2.923 20 10 DFCDLO O=C(NC1CC[NH+](Cc2cccc(Cl)c2O)CC1)C1CCC1 ZINC000367719188 336828546 /nfs/dbraw/zinc/82/85/46/336828546.db2.gz HLNOQUCBISNTOK-UHFFFAOYSA-N 1 2 322.836 2.926 20 10 DFCDLO Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])C2 ZINC000375580617 337013897 /nfs/dbraw/zinc/01/38/97/337013897.db2.gz ZLJQSZVBPOGHHU-QWRGUYRKSA-N 1 2 307.344 2.841 20 10 DFCDLO CC[C@@H](c1ccccc1O)[N@@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000377672707 337058051 /nfs/dbraw/zinc/05/80/51/337058051.db2.gz LRYCUZOEIWALTA-AWEZNQCLSA-N 1 2 311.447 2.742 20 10 DFCDLO CC[C@@H](c1ccccc1O)[N@H+]1CCC(C)(C)S(=O)(=O)CC1 ZINC000377672707 337058052 /nfs/dbraw/zinc/05/80/52/337058052.db2.gz LRYCUZOEIWALTA-AWEZNQCLSA-N 1 2 311.447 2.742 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1O ZINC000185585457 337249130 /nfs/dbraw/zinc/24/91/30/337249130.db2.gz VQGWWNZEPOLULW-MNOVXSKESA-N 1 2 304.369 2.871 20 10 DFCDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1nnc2n1CCCC2 ZINC000185585492 337249204 /nfs/dbraw/zinc/24/92/04/337249204.db2.gz VQGWWNZEPOLULW-GHMZBOCLSA-N 1 2 304.369 2.871 20 10 DFCDLO CC[C@H]([NH2+]C[C@H]1COCCN1)c1ccc(Cl)c(Cl)c1O ZINC000530227005 340783233 /nfs/dbraw/zinc/78/32/33/340783233.db2.gz QNMVJSCLBAPBHC-CABZTGNLSA-N 1 2 319.232 2.728 20 10 DFCDLO CC(C)S(=O)(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267378117 519786869 /nfs/dbraw/zinc/78/68/69/519786869.db2.gz GBBYHBGSHQNQHF-UHFFFAOYSA-N 1 2 324.490 2.540 20 10 DFCDLO CC(C)S(=O)(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267378117 519786870 /nfs/dbraw/zinc/78/68/70/519786870.db2.gz GBBYHBGSHQNQHF-UHFFFAOYSA-N 1 2 324.490 2.540 20 10 DFCDLO CCO[C@H]1C[C@](CO)([NH2+]Cc2cccc(Cl)c2O)C1(C)C ZINC000188904899 520586012 /nfs/dbraw/zinc/58/60/12/520586012.db2.gz RMMAGQPFWFFUQL-XJKSGUPXSA-N 1 2 313.825 2.701 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1F ZINC000190040834 520891643 /nfs/dbraw/zinc/89/16/43/520891643.db2.gz FTDJRSNWHVQICW-SFHVURJKSA-N 1 2 320.408 2.953 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1F ZINC000190040834 520891651 /nfs/dbraw/zinc/89/16/51/520891651.db2.gz FTDJRSNWHVQICW-SFHVURJKSA-N 1 2 320.408 2.953 20 10 DFCDLO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191223767 523968334 /nfs/dbraw/zinc/96/83/34/523968334.db2.gz JAJSTWUYYZIJMS-VHSXEESVSA-N 1 2 300.349 2.626 20 10 DFCDLO C[N@@H+]1CCc2ncnc(NCc3c(O)ccc4c3CCCC4)c2C1 ZINC000266239332 524003393 /nfs/dbraw/zinc/00/33/93/524003393.db2.gz KXRCDACPFJBIBT-UHFFFAOYSA-N 1 2 324.428 2.661 20 10 DFCDLO C[N@H+]1CCc2ncnc(NCc3c(O)ccc4c3CCCC4)c2C1 ZINC000266239332 524003398 /nfs/dbraw/zinc/00/33/98/524003398.db2.gz KXRCDACPFJBIBT-UHFFFAOYSA-N 1 2 324.428 2.661 20 10 DFCDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131036730 524875066 /nfs/dbraw/zinc/87/50/66/524875066.db2.gz WSYOWRGUROYKIP-DCXZOGHSSA-N 1 2 310.246 2.898 20 10 DFCDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131036730 524875076 /nfs/dbraw/zinc/87/50/76/524875076.db2.gz WSYOWRGUROYKIP-DCXZOGHSSA-N 1 2 310.246 2.898 20 10 DFCDLO Cn1cc(C[C@@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000367733775 527232661 /nfs/dbraw/zinc/23/26/61/527232661.db2.gz YNJVJZHHARURFB-LBPRGKRZSA-N 1 2 305.809 2.844 20 10 DFCDLO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000367733775 527232664 /nfs/dbraw/zinc/23/26/64/527232664.db2.gz YNJVJZHHARURFB-LBPRGKRZSA-N 1 2 305.809 2.844 20 10 DFCDLO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000091986199 193136818 /nfs/dbraw/zinc/13/68/18/193136818.db2.gz QLIMCLSTNAEJSF-MRVPVSSYSA-N 1 2 306.189 2.940 20 10 DFCDLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000091986199 193136820 /nfs/dbraw/zinc/13/68/20/193136820.db2.gz QLIMCLSTNAEJSF-MRVPVSSYSA-N 1 2 306.189 2.940 20 10 DFCDLO C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cc(F)ccc1O ZINC000272279012 130015276 /nfs/dbraw/zinc/01/52/76/130015276.db2.gz MLCGRWNETVDPJQ-UHFFFAOYSA-N 1 2 317.286 2.922 20 10 DFCDLO C[N@@H+](Cc1nccn1CC(F)(F)F)Cc1cc(F)ccc1O ZINC000272279012 130015277 /nfs/dbraw/zinc/01/52/77/130015277.db2.gz MLCGRWNETVDPJQ-UHFFFAOYSA-N 1 2 317.286 2.922 20 10 DFCDLO CC[C@H]1C[N@H+](Cc2cccc(F)c2O)CCN1CC(F)F ZINC000272297435 130016640 /nfs/dbraw/zinc/01/66/40/130016640.db2.gz PBHUSWHVENDDRF-LBPRGKRZSA-N 1 2 302.340 2.693 20 10 DFCDLO CC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCN1CC(F)F ZINC000272297435 130016642 /nfs/dbraw/zinc/01/66/42/130016642.db2.gz PBHUSWHVENDDRF-LBPRGKRZSA-N 1 2 302.340 2.693 20 10 DFCDLO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273358180 130110926 /nfs/dbraw/zinc/11/09/26/130110926.db2.gz DFTYCOZALOKJDY-SJCJKPOMSA-N 1 2 316.357 2.993 20 10 DFCDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000273589330 130141592 /nfs/dbraw/zinc/14/15/92/130141592.db2.gz OTADFUXCNDAENL-LZVXQISVSA-N 1 2 314.341 2.609 20 10 DFCDLO COc1ccc([C@@H](C[NH+](C)C)NCc2cc(F)ccc2O)cc1 ZINC000284908371 131121493 /nfs/dbraw/zinc/12/14/93/131121493.db2.gz GDNDGWYNGUKGKK-QGZVFWFLSA-N 1 2 318.392 2.932 20 10 DFCDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000287553165 131286987 /nfs/dbraw/zinc/28/69/87/131286987.db2.gz PBBFQTVLMKTJRJ-NSHDSACASA-N 1 2 315.373 2.862 20 10 DFCDLO CC[C@@H]([NH2+]CCCN1CCOC1=O)c1cccc(Cl)c1O ZINC000287775222 131299596 /nfs/dbraw/zinc/29/95/96/131299596.db2.gz RUVLVSGBLMZJGI-CYBMUJFWSA-N 1 2 312.797 2.929 20 10 DFCDLO CC[C@@H]([NH2+]C[C@H](O)COC)c1cc(Cl)cc(Cl)c1O ZINC000287648564 286912311 /nfs/dbraw/zinc/91/23/11/286912311.db2.gz LFAYHNYSMFJJFA-JOYOIKCWSA-N 1 2 308.205 2.747 20 10 DFCDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCNC1=O ZINC000123916092 426461022 /nfs/dbraw/zinc/46/10/22/426461022.db2.gz AGCZWPFKLXJYEA-GFCCVEGCSA-N 1 2 317.216 2.800 20 10 DFCDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCCNC1=O ZINC000123916092 426461024 /nfs/dbraw/zinc/46/10/24/426461024.db2.gz AGCZWPFKLXJYEA-GFCCVEGCSA-N 1 2 317.216 2.800 20 10 DFCDLO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1O ZINC000186178654 426491846 /nfs/dbraw/zinc/49/18/46/426491846.db2.gz BSOOCWOZYJXGOP-SDBXPKJASA-N 1 2 306.189 2.501 20 10 DFCDLO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000187702511 426687590 /nfs/dbraw/zinc/68/75/90/426687590.db2.gz BEVBWLAYYAAIGV-WCQYABFASA-N 1 2 307.340 2.925 20 10 DFCDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000281962968 426803311 /nfs/dbraw/zinc/80/33/11/426803311.db2.gz XVSQZDVTOIEVAZ-ZDUSSCGKSA-N 1 2 315.373 2.682 20 10 DFCDLO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1F ZINC000276795709 427121927 /nfs/dbraw/zinc/12/19/27/427121927.db2.gz YLDUUNSWKDRRQN-GFCCVEGCSA-N 1 2 305.401 2.651 20 10 DFCDLO CN(C)c1ncnc(Cl)c1C[N@H+](C)Cc1ccccc1O ZINC000278782466 427449373 /nfs/dbraw/zinc/44/93/73/427449373.db2.gz ZNYAKROTEZDBNY-UHFFFAOYSA-N 1 2 306.797 2.534 20 10 DFCDLO CN(C)c1ncnc(Cl)c1C[N@@H+](C)Cc1ccccc1O ZINC000278782466 427449383 /nfs/dbraw/zinc/44/93/83/427449383.db2.gz ZNYAKROTEZDBNY-UHFFFAOYSA-N 1 2 306.797 2.534 20 10 DFCDLO COc1c(O)c(C[N@H+](C)Cc2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000278291942 427428844 /nfs/dbraw/zinc/42/88/44/427428844.db2.gz VABORINANSATJI-UHFFFAOYSA-N 1 2 323.374 2.706 20 10 DFCDLO COc1c(O)c(C[N@@H+](C)Cc2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000278291942 427428850 /nfs/dbraw/zinc/42/88/50/427428850.db2.gz VABORINANSATJI-UHFFFAOYSA-N 1 2 323.374 2.706 20 10 DFCDLO COc1c(O)c(C[N@H+](C)[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278502956 427443354 /nfs/dbraw/zinc/44/33/54/427443354.db2.gz OGRBPAVIIZLCKE-LLVKDONJSA-N 1 2 317.345 2.897 20 10 DFCDLO COc1c(O)c(C[N@@H+](C)[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278502956 427443362 /nfs/dbraw/zinc/44/33/62/427443362.db2.gz OGRBPAVIIZLCKE-LLVKDONJSA-N 1 2 317.345 2.897 20 10 DFCDLO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000184700499 427520815 /nfs/dbraw/zinc/52/08/15/427520815.db2.gz AFOMKRGGZDUSST-JTQLQIEISA-N 1 2 315.797 2.826 20 10 DFCDLO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000184700499 427520823 /nfs/dbraw/zinc/52/08/23/427520823.db2.gz AFOMKRGGZDUSST-JTQLQIEISA-N 1 2 315.797 2.826 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000294127602 427558860 /nfs/dbraw/zinc/55/88/60/427558860.db2.gz GVAMWLXFDOJIJM-UHFFFAOYSA-N 1 2 315.772 2.566 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000294127602 427558868 /nfs/dbraw/zinc/55/88/68/427558868.db2.gz GVAMWLXFDOJIJM-UHFFFAOYSA-N 1 2 315.772 2.566 20 10 DFCDLO CCN(CC)c1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1F ZINC000279331543 427643957 /nfs/dbraw/zinc/64/39/57/427643957.db2.gz CTCGBJQVNOEORI-UHFFFAOYSA-N 1 2 318.396 2.562 20 10 DFCDLO CCN(CC)c1ccc(CNC(=O)Cc2[nH+]c[nH]c2C)cc1F ZINC000279331543 427643961 /nfs/dbraw/zinc/64/39/61/427643961.db2.gz CTCGBJQVNOEORI-UHFFFAOYSA-N 1 2 318.396 2.562 20 10 DFCDLO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1cccc(Cl)c1O ZINC000287765792 427687279 /nfs/dbraw/zinc/68/72/79/427687279.db2.gz REOGIBCGBLQWNK-ZWNOBZJWSA-N 1 2 319.854 2.910 20 10 DFCDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185682505 427690180 /nfs/dbraw/zinc/69/01/80/427690180.db2.gz BXCVKEKLSQETQK-MFKMUULPSA-N 1 2 304.369 2.871 20 10 DFCDLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000371473001 428391033 /nfs/dbraw/zinc/39/10/33/428391033.db2.gz JQWNLPLBFFYERO-XJKSGUPXSA-N 1 2 324.852 2.588 20 10 DFCDLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000371473001 428391036 /nfs/dbraw/zinc/39/10/36/428391036.db2.gz JQWNLPLBFFYERO-XJKSGUPXSA-N 1 2 324.852 2.588 20 10 DFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000374258098 428669971 /nfs/dbraw/zinc/66/99/71/428669971.db2.gz IJYBDKXNLRXWNT-AWEZNQCLSA-N 1 2 321.808 2.959 20 10 DFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000374258098 428669976 /nfs/dbraw/zinc/66/99/76/428669976.db2.gz IJYBDKXNLRXWNT-AWEZNQCLSA-N 1 2 321.808 2.959 20 10 DFCDLO CN1CCc2cc(CN[C@H](c3[nH]cc[nH+]3)c3ccccn3)ccc21 ZINC000365486427 429327291 /nfs/dbraw/zinc/32/72/91/429327291.db2.gz BSLCBJPWABFTGT-SFHVURJKSA-N 1 2 319.412 2.676 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@H](c3ncc[nH]3)c3ccccn3)ccc21 ZINC000365486427 429327296 /nfs/dbraw/zinc/32/72/96/429327296.db2.gz BSLCBJPWABFTGT-SFHVURJKSA-N 1 2 319.412 2.676 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(CC2CC2)c2ccccc21 ZINC000492812742 429621552 /nfs/dbraw/zinc/62/15/52/429621552.db2.gz NPTOTAWWIHEJQP-FPLPWBNLSA-N 1 2 308.385 2.686 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000573218787 429936783 /nfs/dbraw/zinc/93/67/83/429936783.db2.gz OZVYBZHFPWEKBK-LBPRGKRZSA-N 1 2 310.401 2.705 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000573218787 429936790 /nfs/dbraw/zinc/93/67/90/429936790.db2.gz OZVYBZHFPWEKBK-LBPRGKRZSA-N 1 2 310.401 2.705 20 10 DFCDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nncn1C ZINC000294586443 279907445 /nfs/dbraw/zinc/90/74/45/279907445.db2.gz HFXXNFKIFOWCJK-CYBMUJFWSA-N 1 2 312.776 2.800 20 10 DFCDLO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273569643 290384016 /nfs/dbraw/zinc/38/40/16/290384016.db2.gz KKXZFSBCCQIXAJ-QMMMGPOBSA-N 1 2 305.205 2.876 20 10 DFCDLO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1nnc2n1CCCCC2 ZINC000317301715 331678693 /nfs/dbraw/zinc/67/86/93/331678693.db2.gz MOEJEPXJZIQPPQ-LLVKDONJSA-N 1 2 304.369 2.700 20 10 DFCDLO CC(=O)c1cc(Cl)cc(CN2CC[NH+](C3CC3)CC2)c1O ZINC000048994950 332306340 /nfs/dbraw/zinc/30/63/40/332306340.db2.gz AWDOKQIKJZHPQJ-UHFFFAOYSA-N 1 2 308.809 2.528 20 10 DFCDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000294797351 335127570 /nfs/dbraw/zinc/12/75/70/335127570.db2.gz VSQSLXLPOUZNKF-KOLCDFICSA-N 1 2 315.772 2.816 20 10 DFCDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@H]1C ZINC000294797351 335127571 /nfs/dbraw/zinc/12/75/71/335127571.db2.gz VSQSLXLPOUZNKF-KOLCDFICSA-N 1 2 315.772 2.816 20 10 DFCDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000294797375 335127603 /nfs/dbraw/zinc/12/76/03/335127603.db2.gz VSQSLXLPOUZNKF-ONGXEEELSA-N 1 2 315.772 2.816 20 10 DFCDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1C ZINC000294797375 335127604 /nfs/dbraw/zinc/12/76/04/335127604.db2.gz VSQSLXLPOUZNKF-ONGXEEELSA-N 1 2 315.772 2.816 20 10 DFCDLO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460927 334047205 /nfs/dbraw/zinc/04/72/05/334047205.db2.gz CRVYJJIKLSUDJT-OLZOCXBDSA-N 1 2 308.422 2.560 20 10 DFCDLO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460927 334047206 /nfs/dbraw/zinc/04/72/06/334047206.db2.gz CRVYJJIKLSUDJT-OLZOCXBDSA-N 1 2 308.422 2.560 20 10 DFCDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000273466457 334047388 /nfs/dbraw/zinc/04/73/88/334047388.db2.gz IYVMKYMXEBBSTL-NXEZZACHSA-N 1 2 319.365 2.954 20 10 DFCDLO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1O ZINC000277667304 334089832 /nfs/dbraw/zinc/08/98/32/334089832.db2.gz PLMJENDVJXATOE-JEOXALJRSA-N 1 2 301.839 2.697 20 10 DFCDLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1O ZINC000277667304 334089834 /nfs/dbraw/zinc/08/98/34/334089834.db2.gz PLMJENDVJXATOE-JEOXALJRSA-N 1 2 301.839 2.697 20 10 DFCDLO CC[C@@H]([NH2+]CCCN1CCOCC1)c1cccc(Cl)c1O ZINC000286991891 334155465 /nfs/dbraw/zinc/15/54/65/334155465.db2.gz PELYGCCEGZSGLV-OAHLLOKOSA-N 1 2 312.841 2.809 20 10 DFCDLO CC[C@H]([NH2+]CCCN1CCOCC1)c1cccc(Cl)c1O ZINC000286991888 334155524 /nfs/dbraw/zinc/15/55/24/334155524.db2.gz PELYGCCEGZSGLV-HNNXBMFYSA-N 1 2 312.841 2.809 20 10 DFCDLO Cc1cc(Br)cc(C[NH+]2CC(n3cccn3)C2)c1O ZINC000367724061 336828655 /nfs/dbraw/zinc/82/86/55/336828655.db2.gz OLLJPOGDEOHVLZ-UHFFFAOYSA-N 1 2 322.206 2.717 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CC3CC3)CC2)cc1 ZINC000368849851 336854046 /nfs/dbraw/zinc/85/40/46/336854046.db2.gz FVDAXUIBORJRHS-UHFFFAOYSA-N 1 2 302.418 2.923 20 10 DFCDLO CC(=O)c1cc(Cl)cc(CN2CCn3cc(C)[nH+]c3C2)c1O ZINC000374708879 336995464 /nfs/dbraw/zinc/99/54/64/336995464.db2.gz DBASHVJOYKNPLI-UHFFFAOYSA-N 1 2 319.792 2.769 20 10 DFCDLO Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])C2 ZINC000375580615 337013814 /nfs/dbraw/zinc/01/38/14/337013814.db2.gz ZLJQSZVBPOGHHU-GHMZBOCLSA-N 1 2 307.344 2.841 20 10 DFCDLO CC(=O)c1cc(F)cc(CN2CCn3c(C)c(C)[nH+]c3C2)c1O ZINC000378002996 337064979 /nfs/dbraw/zinc/06/49/79/337064979.db2.gz LHFQUOSJMCLVML-UHFFFAOYSA-N 1 2 317.364 2.563 20 10 DFCDLO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000360091347 337085111 /nfs/dbraw/zinc/08/51/11/337085111.db2.gz CBNQKUJJXMAADI-AWEZNQCLSA-N 1 2 316.361 2.684 20 10 DFCDLO Cc1nc([C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000180107944 337171511 /nfs/dbraw/zinc/17/15/11/337171511.db2.gz UPXUUUIMNTZRSF-QGZVFWFLSA-N 1 2 324.384 2.545 20 10 DFCDLO Cc1nc([C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000180107944 337171512 /nfs/dbraw/zinc/17/15/12/337171512.db2.gz UPXUUUIMNTZRSF-QGZVFWFLSA-N 1 2 324.384 2.545 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000180027716 337173265 /nfs/dbraw/zinc/17/32/65/337173265.db2.gz JAILOVUJYXSNDA-OAHLLOKOSA-N 1 2 324.852 2.732 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000180027716 337173266 /nfs/dbraw/zinc/17/32/66/337173266.db2.gz JAILOVUJYXSNDA-OAHLLOKOSA-N 1 2 324.852 2.732 20 10 DFCDLO CCn1cc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000191699044 337300681 /nfs/dbraw/zinc/30/06/81/337300681.db2.gz VOAKLIKSYZJMQA-INIZCTEOSA-N 1 2 321.808 2.836 20 10 DFCDLO CCn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)cn1 ZINC000191699044 337300682 /nfs/dbraw/zinc/30/06/82/337300682.db2.gz VOAKLIKSYZJMQA-INIZCTEOSA-N 1 2 321.808 2.836 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000492814604 339909461 /nfs/dbraw/zinc/90/94/61/339909461.db2.gz UWSRFRICZJBSNA-KXFIGUGUSA-N 1 2 312.348 2.578 20 10 DFCDLO CC(C)(C)C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000128325583 518566150 /nfs/dbraw/zinc/56/61/50/518566150.db2.gz UTFVSNCRLIOKNX-UHFFFAOYSA-N 1 2 310.825 2.736 20 10 DFCDLO CC(C)C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)C ZINC000265109493 519395416 /nfs/dbraw/zinc/39/54/16/519395416.db2.gz BMIXNWZLRQMXGE-ZDUSSCGKSA-N 1 2 323.389 2.577 20 10 DFCDLO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191223714 522153278 /nfs/dbraw/zinc/15/32/78/522153278.db2.gz JAJSTWUYYZIJMS-ZJUUUORDSA-N 1 2 300.349 2.626 20 10 DFCDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000191674843 523997669 /nfs/dbraw/zinc/99/76/69/523997669.db2.gz LJURSMHPGBNUJG-MPKXVKKWSA-N 1 2 309.793 2.819 20 10 DFCDLO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000191674843 523997672 /nfs/dbraw/zinc/99/76/72/523997672.db2.gz LJURSMHPGBNUJG-MPKXVKKWSA-N 1 2 309.793 2.819 20 10 DFCDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131037135 524866385 /nfs/dbraw/zinc/86/63/85/524866385.db2.gz WSYOWRGUROYKIP-ASCAZGACSA-N 1 2 310.246 2.898 20 10 DFCDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131037135 524866394 /nfs/dbraw/zinc/86/63/94/524866394.db2.gz WSYOWRGUROYKIP-ASCAZGACSA-N 1 2 310.246 2.898 20 10 DFCDLO COc1cccc(C[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000182648453 526034442 /nfs/dbraw/zinc/03/44/42/526034442.db2.gz YCQHWPRZSUOMEC-AWEZNQCLSA-N 1 2 309.406 2.857 20 10 DFCDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000267075399 526325694 /nfs/dbraw/zinc/32/56/94/526325694.db2.gz RMFGHZDENVEOQY-LBPRGKRZSA-N 1 2 308.230 2.657 20 10 DFCDLO CCCCN(Cc1ccccc1O)C(=O)CCc1c[nH+]cn1C ZINC000282550145 535260655 /nfs/dbraw/zinc/26/06/55/535260655.db2.gz SJFGKYDTFWPMQQ-UHFFFAOYSA-N 1 2 315.417 2.887 20 10 DFCDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@]12CCCO2 ZINC000273699502 535508982 /nfs/dbraw/zinc/50/89/82/535508982.db2.gz CXLQZQYUNYVDIC-LZWOXQAQSA-N 1 2 311.809 2.862 20 10 DFCDLO CC[C@@H]([NH2+]CC1(CO)COC1)c1cc(Cl)cc(Cl)c1O ZINC000287311949 535803031 /nfs/dbraw/zinc/80/30/31/535803031.db2.gz CZADHMDZEPRGLV-GFCCVEGCSA-N 1 2 320.216 2.749 20 10 DFCDLO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1O ZINC000187753351 299404653 /nfs/dbraw/zinc/40/46/53/299404653.db2.gz LPWMDAPDUCVRMK-AUYAEMIRSA-N 1 2 305.324 2.979 20 10 DFCDLO COCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000021017960 182260781 /nfs/dbraw/zinc/26/07/81/182260781.db2.gz CUOBVFBAIFDBFM-UHFFFAOYSA-N 1 2 308.205 2.842 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000272884193 130071055 /nfs/dbraw/zinc/07/10/55/130071055.db2.gz YIKKXUZAVLGPRC-UHFFFAOYSA-N 1 2 309.715 2.935 20 10 DFCDLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273617375 130144947 /nfs/dbraw/zinc/14/49/47/130144947.db2.gz XUGMKHTYPPYTID-ABAIWWIYSA-N 1 2 302.330 2.685 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369553534 131271011 /nfs/dbraw/zinc/27/10/11/131271011.db2.gz VAHFSRGPQGFNBG-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369553534 131271012 /nfs/dbraw/zinc/27/10/12/131271012.db2.gz VAHFSRGPQGFNBG-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000292737920 543016752 /nfs/dbraw/zinc/01/67/52/543016752.db2.gz HAZPZGRUXKTXQG-CYBMUJFWSA-N 1 2 319.323 2.943 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1 ZINC000292737920 543016757 /nfs/dbraw/zinc/01/67/57/543016757.db2.gz HAZPZGRUXKTXQG-CYBMUJFWSA-N 1 2 319.323 2.943 20 10 DFCDLO Cn1cc(Br)c(C[N@H+](C)Cc2ccccc2O)n1 ZINC000293026768 543019286 /nfs/dbraw/zinc/01/92/86/543019286.db2.gz VUZADBWOLOVNQQ-UHFFFAOYSA-N 1 2 310.195 2.520 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cnn(C)c2)c1O ZINC000050152996 425881591 /nfs/dbraw/zinc/88/15/91/425881591.db2.gz JSOBIRAOYQHQRM-UHFFFAOYSA-N 1 2 307.781 2.614 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cnn(C)c2)c1O ZINC000050152996 425881592 /nfs/dbraw/zinc/88/15/92/425881592.db2.gz JSOBIRAOYQHQRM-UHFFFAOYSA-N 1 2 307.781 2.614 20 10 DFCDLO COc1ccc([N@H+](CCCS(C)(=O)=O)[C@@H](C)C2CC2)cc1 ZINC000109773968 426032873 /nfs/dbraw/zinc/03/28/73/426032873.db2.gz SXNXAEKPEMUNOV-ZDUSSCGKSA-N 1 2 311.447 2.735 20 10 DFCDLO COc1ccc([N@@H+](CCCS(C)(=O)=O)[C@@H](C)C2CC2)cc1 ZINC000109773968 426032876 /nfs/dbraw/zinc/03/28/76/426032876.db2.gz SXNXAEKPEMUNOV-ZDUSSCGKSA-N 1 2 311.447 2.735 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1F ZINC000121208919 426324604 /nfs/dbraw/zinc/32/46/04/426324604.db2.gz RQNXAEFUJBAONU-AWEZNQCLSA-N 1 2 302.397 2.994 20 10 DFCDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1F ZINC000121209100 426324835 /nfs/dbraw/zinc/32/48/35/426324835.db2.gz RQNXAEFUJBAONU-CQSZACIVSA-N 1 2 302.397 2.994 20 10 DFCDLO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1)OCO2 ZINC000092729807 426350919 /nfs/dbraw/zinc/35/09/19/426350919.db2.gz JNXJHOQUOKFUOL-GFCCVEGCSA-N 1 2 301.346 2.571 20 10 DFCDLO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1)OCO2 ZINC000092729807 426350922 /nfs/dbraw/zinc/35/09/22/426350922.db2.gz JNXJHOQUOKFUOL-GFCCVEGCSA-N 1 2 301.346 2.571 20 10 DFCDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289923966 426676369 /nfs/dbraw/zinc/67/63/69/426676369.db2.gz VZLUDHOZNQIWMM-HNNXBMFYSA-N 1 2 304.369 2.920 20 10 DFCDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)C)c(F)c2)n1 ZINC000289923966 426676375 /nfs/dbraw/zinc/67/63/75/426676375.db2.gz VZLUDHOZNQIWMM-HNNXBMFYSA-N 1 2 304.369 2.920 20 10 DFCDLO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187753194 426690464 /nfs/dbraw/zinc/69/04/64/426690464.db2.gz ZXASUYAZMCRIPF-GARJFASQSA-N 1 2 301.333 2.515 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+][C@H](C)c2cc(OC)ccc2O)no1 ZINC000290190601 426713053 /nfs/dbraw/zinc/71/30/53/426713053.db2.gz OGUZEMLFBMGPRU-MNOVXSKESA-N 1 2 321.377 2.732 20 10 DFCDLO CC[N@H+](CC1(CC(=O)OC)CC1)c1ccc(OC)c(OC)c1 ZINC000281482326 426721147 /nfs/dbraw/zinc/72/11/47/426721147.db2.gz PIBDCESNARMEBO-UHFFFAOYSA-N 1 2 307.390 2.873 20 10 DFCDLO CC[N@@H+](CC1(CC(=O)OC)CC1)c1ccc(OC)c(OC)c1 ZINC000281482326 426721152 /nfs/dbraw/zinc/72/11/52/426721152.db2.gz PIBDCESNARMEBO-UHFFFAOYSA-N 1 2 307.390 2.873 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc(OCC)ccc2O)no1 ZINC000290816919 426845937 /nfs/dbraw/zinc/84/59/37/426845937.db2.gz GOMZYYUWKYBGLC-NSHDSACASA-N 1 2 321.377 2.561 20 10 DFCDLO CN(C)c1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1F ZINC000282188915 426848275 /nfs/dbraw/zinc/84/82/75/426848275.db2.gz BIJRGWJMLHKKRA-UHFFFAOYSA-N 1 2 305.401 2.528 20 10 DFCDLO COc1cccc(C[NH2+][C@H](C)c2noc(COC(C)C)n2)c1O ZINC000290872773 426860064 /nfs/dbraw/zinc/86/00/64/426860064.db2.gz KIGVODUEUWEOBQ-LLVKDONJSA-N 1 2 321.377 2.560 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)no1 ZINC000290902060 426865120 /nfs/dbraw/zinc/86/51/20/426865120.db2.gz MEMJYRZTDLKQSW-GFCCVEGCSA-N 1 2 305.378 2.774 20 10 DFCDLO CCN(CC)c1ccc(CN2CCn3c[nH+]cc3C2)cc1F ZINC000291540965 426909776 /nfs/dbraw/zinc/90/97/76/426909776.db2.gz LGNOIMUHZLQXNO-UHFFFAOYSA-N 1 2 302.397 2.884 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000295387104 426936049 /nfs/dbraw/zinc/93/60/49/426936049.db2.gz PPAPBQFVMWOLHN-NSHDSACASA-N 1 2 310.760 2.613 20 10 DFCDLO CC(=O)N1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293492010 427343746 /nfs/dbraw/zinc/34/37/46/427343746.db2.gz APMUDAPGAIBGGJ-UHFFFAOYSA-N 1 2 314.788 2.533 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1O ZINC000278706775 427450572 /nfs/dbraw/zinc/45/05/72/427450572.db2.gz UCCJNGRLVAIRSV-HNNXBMFYSA-N 1 2 303.337 2.794 20 10 DFCDLO CC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278212424 427425059 /nfs/dbraw/zinc/42/50/59/427425059.db2.gz KLOBWOZKCOFDID-UHFFFAOYSA-N 1 2 317.345 2.726 20 10 DFCDLO CC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278212424 427425067 /nfs/dbraw/zinc/42/50/67/427425067.db2.gz KLOBWOZKCOFDID-UHFFFAOYSA-N 1 2 317.345 2.726 20 10 DFCDLO COCC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000271185750 427437972 /nfs/dbraw/zinc/43/79/72/427437972.db2.gz NGFQDXWBBGEYQO-UHFFFAOYSA-N 1 2 320.216 2.672 20 10 DFCDLO CN(C)c1ccc(C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)cc1 ZINC000293796672 427438547 /nfs/dbraw/zinc/43/85/47/427438547.db2.gz QYINOAQUBVROLV-HNNXBMFYSA-N 1 2 313.430 2.811 20 10 DFCDLO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000184700648 427521471 /nfs/dbraw/zinc/52/14/71/427521471.db2.gz GTRJADPPJLEDRH-GFCCVEGCSA-N 1 2 322.796 2.520 20 10 DFCDLO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000184700648 427521479 /nfs/dbraw/zinc/52/14/79/427521479.db2.gz GTRJADPPJLEDRH-GFCCVEGCSA-N 1 2 322.796 2.520 20 10 DFCDLO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2noc(C)n2)c1O ZINC000359976652 428100081 /nfs/dbraw/zinc/10/00/81/428100081.db2.gz IGDJVAXRPVISOW-ZDUSSCGKSA-N 1 2 303.362 2.819 20 10 DFCDLO CCOc1cccc(C[N@H+]2CCC[C@H]2c2noc(C)n2)c1O ZINC000359976652 428100084 /nfs/dbraw/zinc/10/00/84/428100084.db2.gz IGDJVAXRPVISOW-ZDUSSCGKSA-N 1 2 303.362 2.819 20 10 DFCDLO O=C(N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1)C1CCC1 ZINC000371416509 428390247 /nfs/dbraw/zinc/39/02/47/428390247.db2.gz HLLNKFPHGHPVHH-ZDUSSCGKSA-N 1 2 308.809 2.536 20 10 DFCDLO O=C(N[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1)C1CCC1 ZINC000371416509 428390251 /nfs/dbraw/zinc/39/02/51/428390251.db2.gz HLLNKFPHGHPVHH-ZDUSSCGKSA-N 1 2 308.809 2.536 20 10 DFCDLO Oc1cccc([C@@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000371561240 428398953 /nfs/dbraw/zinc/39/89/53/428398953.db2.gz QVWMGRAMYPXGHL-INIZCTEOSA-N 1 2 303.333 2.810 20 10 DFCDLO Oc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)c1 ZINC000371561240 428398955 /nfs/dbraw/zinc/39/89/55/428398955.db2.gz QVWMGRAMYPXGHL-INIZCTEOSA-N 1 2 303.333 2.810 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2COc3cccc(F)c32)c1 ZINC000374678489 428730675 /nfs/dbraw/zinc/73/06/75/428730675.db2.gz LDFICDHNZCRVIJ-LBPRGKRZSA-N 1 2 304.277 2.663 20 10 DFCDLO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C2 ZINC000369035501 429908902 /nfs/dbraw/zinc/90/89/02/429908902.db2.gz MERCQGRRSRGOBP-CABZTGNLSA-N 1 2 319.355 2.977 20 10 DFCDLO CC[C@H]([NH2+]C[C@H]1COCCN1)c1cc(Cl)cc(Cl)c1O ZINC000530228274 430106031 /nfs/dbraw/zinc/10/60/31/430106031.db2.gz ZPDZRRZQYAQHLB-GWCFXTLKSA-N 1 2 319.232 2.728 20 10 DFCDLO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184922006 278102627 /nfs/dbraw/zinc/10/26/27/278102627.db2.gz GEMARQGXBGPITC-QMMMGPOBSA-N 1 2 305.205 2.876 20 10 DFCDLO CC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184922022 278102836 /nfs/dbraw/zinc/10/28/36/278102836.db2.gz GEMARQGXBGPITC-MRVPVSSYSA-N 1 2 305.205 2.876 20 10 DFCDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cccc(F)c1O ZINC000282917405 278112626 /nfs/dbraw/zinc/11/26/26/278112626.db2.gz DVPMLUOSWRSYAV-UHFFFAOYSA-N 1 2 322.405 2.731 20 10 DFCDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cccc(F)c1O ZINC000282917405 278112627 /nfs/dbraw/zinc/11/26/27/278112627.db2.gz DVPMLUOSWRSYAV-UHFFFAOYSA-N 1 2 322.405 2.731 20 10 DFCDLO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000281632944 292689903 /nfs/dbraw/zinc/68/99/03/292689903.db2.gz OLEKTUZIMNVGCJ-RKDXNWHRSA-N 1 2 308.205 2.747 20 10 DFCDLO C[C@H]([NH2+]Cc1cn2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000273588396 289983340 /nfs/dbraw/zinc/98/33/40/289983340.db2.gz OMDILZSOIMOSNB-NSHDSACASA-N 1 2 316.361 2.684 20 10 DFCDLO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc(F)c(F)c1O ZINC000187805165 290053358 /nfs/dbraw/zinc/05/33/58/290053358.db2.gz YXVXKXFHJOETJR-RYUDHWBXSA-N 1 2 319.355 2.995 20 10 DFCDLO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000276905897 290357347 /nfs/dbraw/zinc/35/73/47/290357347.db2.gz JWSAKWCTOVBNAQ-KPPDAEKUSA-N 1 2 312.360 2.626 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000295513327 335135437 /nfs/dbraw/zinc/13/54/37/335135437.db2.gz ZKAKPDINGJCPMZ-NSHDSACASA-N 1 2 313.678 2.684 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000295513327 335135438 /nfs/dbraw/zinc/13/54/38/335135438.db2.gz ZKAKPDINGJCPMZ-NSHDSACASA-N 1 2 313.678 2.684 20 10 DFCDLO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1O ZINC000296351043 335143566 /nfs/dbraw/zinc/14/35/66/335143566.db2.gz IHTAAQGHSXMUTB-XCBNKYQSSA-N 1 2 303.189 2.628 20 10 DFCDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000271482511 334023909 /nfs/dbraw/zinc/02/39/09/334023909.db2.gz XZZPOWSSUYJQPW-AWEZNQCLSA-N 1 2 319.430 2.733 20 10 DFCDLO Cc1nnc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000271482511 334023910 /nfs/dbraw/zinc/02/39/10/334023910.db2.gz XZZPOWSSUYJQPW-AWEZNQCLSA-N 1 2 319.430 2.733 20 10 DFCDLO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460934 334047077 /nfs/dbraw/zinc/04/70/77/334047077.db2.gz CRVYJJIKLSUDJT-STQMWFEESA-N 1 2 308.422 2.560 20 10 DFCDLO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273460934 334047078 /nfs/dbraw/zinc/04/70/78/334047078.db2.gz CRVYJJIKLSUDJT-STQMWFEESA-N 1 2 308.422 2.560 20 10 DFCDLO COc1c(O)c(C[N@H+](C)Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000278330714 334095098 /nfs/dbraw/zinc/09/50/98/334095098.db2.gz ZHIVWDUBKGCORC-UHFFFAOYSA-N 1 2 323.374 2.706 20 10 DFCDLO COc1c(O)c(C[N@@H+](C)Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000278330714 334095099 /nfs/dbraw/zinc/09/50/99/334095099.db2.gz ZHIVWDUBKGCORC-UHFFFAOYSA-N 1 2 323.374 2.706 20 10 DFCDLO Cc1cc(C[N@@H+](C)Cc2nncn2C(C)C)ccc1N(C)C ZINC000293670410 334200432 /nfs/dbraw/zinc/20/04/32/334200432.db2.gz UULYNNQHAFMDTO-UHFFFAOYSA-N 1 2 301.438 2.865 20 10 DFCDLO Cc1cc(C[N@H+](C)Cc2nncn2C(C)C)ccc1N(C)C ZINC000293670410 334200434 /nfs/dbraw/zinc/20/04/34/334200434.db2.gz UULYNNQHAFMDTO-UHFFFAOYSA-N 1 2 301.438 2.865 20 10 DFCDLO CN(C)c1ccc(CN(C(=O)CCn2cc[nH+]c2)C2CC2)cc1 ZINC000299642739 334256589 /nfs/dbraw/zinc/25/65/89/334256589.db2.gz VPJUPSJYJZWVFE-UHFFFAOYSA-N 1 2 312.417 2.530 20 10 DFCDLO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000125502568 334802910 /nfs/dbraw/zinc/80/29/10/334802910.db2.gz QFERIEDXAWSNAK-CVJBHZAOSA-N 1 2 310.246 2.946 20 10 DFCDLO c1cc(NCc2ccc(N3CCOCC3)cc2)nc(C2CC2)[nH+]1 ZINC000110266703 336396174 /nfs/dbraw/zinc/39/61/74/336396174.db2.gz JBNMTEZBNVLMKU-UHFFFAOYSA-N 1 2 310.401 2.803 20 10 DFCDLO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c1O ZINC000374863870 336998564 /nfs/dbraw/zinc/99/85/64/336998564.db2.gz KWDFRMIDTYOZJZ-CQSZACIVSA-N 1 2 303.337 2.794 20 10 DFCDLO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000375847198 337021259 /nfs/dbraw/zinc/02/12/59/337021259.db2.gz LHRLDGJMSREXLQ-CVEARBPZSA-N 1 2 304.434 2.850 20 10 DFCDLO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000375847198 337021260 /nfs/dbraw/zinc/02/12/60/337021260.db2.gz LHRLDGJMSREXLQ-CVEARBPZSA-N 1 2 304.434 2.850 20 10 DFCDLO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c1 ZINC000378446194 337073025 /nfs/dbraw/zinc/07/30/25/337073025.db2.gz XYRTZBRDNMNCCT-CQSZACIVSA-N 1 2 303.362 2.819 20 10 DFCDLO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c1 ZINC000378446194 337073026 /nfs/dbraw/zinc/07/30/26/337073026.db2.gz XYRTZBRDNMNCCT-CQSZACIVSA-N 1 2 303.362 2.819 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000180078047 337173587 /nfs/dbraw/zinc/17/35/87/337173587.db2.gz NGSKTXVLGAOBML-UHFFFAOYSA-N 1 2 318.808 2.548 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000180078047 337173588 /nfs/dbraw/zinc/17/35/88/337173588.db2.gz NGSKTXVLGAOBML-UHFFFAOYSA-N 1 2 318.808 2.548 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000191438929 337296974 /nfs/dbraw/zinc/29/69/74/337296974.db2.gz HKEWSOLUJHVEGV-UHFFFAOYSA-N 1 2 315.772 2.566 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000191438929 337296975 /nfs/dbraw/zinc/29/69/75/337296975.db2.gz HKEWSOLUJHVEGV-UHFFFAOYSA-N 1 2 315.772 2.566 20 10 DFCDLO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191204846 520464666 /nfs/dbraw/zinc/46/46/66/520464666.db2.gz UQRYTVSMFRVTEK-NSHDSACASA-N 1 2 314.376 2.970 20 10 DFCDLO CCc1nc(C2([NH2+]Cc3cccc(OC)c3O)CCCC2)no1 ZINC000237030543 522242938 /nfs/dbraw/zinc/24/29/38/522242938.db2.gz MMVNBIWXFLXBNG-UHFFFAOYSA-N 1 2 317.389 2.905 20 10 DFCDLO COCc1nc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cs1 ZINC000266216385 523203488 /nfs/dbraw/zinc/20/34/88/523203488.db2.gz PYWLZCDLZMMQHA-UHFFFAOYSA-N 1 2 309.410 2.784 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1CC(F)(F)F ZINC000180289209 524987145 /nfs/dbraw/zinc/98/71/45/524987145.db2.gz XZTIAOFQMAXEIG-SNVBAGLBSA-N 1 2 306.303 2.600 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1CC(F)(F)F ZINC000180289209 524987155 /nfs/dbraw/zinc/98/71/55/524987155.db2.gz XZTIAOFQMAXEIG-SNVBAGLBSA-N 1 2 306.303 2.600 20 10 DFCDLO Oc1cccc(Cl)c1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000264989112 526365434 /nfs/dbraw/zinc/36/54/34/526365434.db2.gz WONHUTMAPUSCCB-UHFFFAOYSA-N 1 2 306.797 2.653 20 10 DFCDLO O=C(c1cccs1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179887151 526837808 /nfs/dbraw/zinc/83/78/08/526837808.db2.gz QSVUHEWXGIMKCY-UHFFFAOYSA-N 1 2 320.389 2.551 20 10 DFCDLO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1O)OCCO ZINC000288432595 535146516 /nfs/dbraw/zinc/14/65/16/535146516.db2.gz LBSNTDORCSOZQB-UHFFFAOYSA-N 1 2 308.205 2.576 20 10 DFCDLO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(F)c(F)c1O ZINC000281020927 299285798 /nfs/dbraw/zinc/28/57/98/299285798.db2.gz MENWSBIVFOHCHV-LXGOIASLSA-N 1 2 303.374 2.622 20 10 DFCDLO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000185974341 296133645 /nfs/dbraw/zinc/13/36/45/296133645.db2.gz ZIASFWGKEOTCJO-ZJUUUORDSA-N 1 2 319.232 2.680 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273605178 296147869 /nfs/dbraw/zinc/14/78/69/296147869.db2.gz TXDHOUXVFOIJBY-DTWKUNHWSA-N 1 2 322.283 2.918 20 10 DFCDLO COC(=O)[C@H]1CC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000271887750 284313540 /nfs/dbraw/zinc/31/35/40/284313540.db2.gz WKLRUQQAHSIRJO-GFCCVEGCSA-N 1 2 309.793 2.821 20 10 DFCDLO COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000273384959 130114402 /nfs/dbraw/zinc/11/44/02/130114402.db2.gz JGDQSQIRCXIVMR-SNVBAGLBSA-N 1 2 303.318 2.555 20 10 DFCDLO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000273565985 130139258 /nfs/dbraw/zinc/13/92/58/130139258.db2.gz JMLODEMJUQWJEE-YGRLFVJLSA-N 1 2 306.318 2.586 20 10 DFCDLO C[C@@H](c1nncn1C)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000287287057 131273528 /nfs/dbraw/zinc/27/35/28/131273528.db2.gz LZSYEHVAMSIDLC-HNNXBMFYSA-N 1 2 313.449 2.998 20 10 DFCDLO C[C@@H](c1nncn1C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000287287057 131273530 /nfs/dbraw/zinc/27/35/30/131273530.db2.gz LZSYEHVAMSIDLC-HNNXBMFYSA-N 1 2 313.449 2.998 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H](C)[S@@]1=O ZINC000289586387 131398883 /nfs/dbraw/zinc/39/88/83/131398883.db2.gz KFCQISRZVWWTDW-QQKBFRNYSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)[S@@]1=O ZINC000289586387 131398884 /nfs/dbraw/zinc/39/88/84/131398884.db2.gz KFCQISRZVWWTDW-QQKBFRNYSA-N 1 2 301.839 2.777 20 10 DFCDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000273437617 285569665 /nfs/dbraw/zinc/56/96/65/285569665.db2.gz XOGSHISVBKUUKB-JGVFFNPUSA-N 1 2 305.205 2.874 20 10 DFCDLO Cn1c[nH+]c(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c1 ZINC000669818903 543996753 /nfs/dbraw/zinc/99/67/53/543996753.db2.gz DXLTUVQFMDNCMY-UXBLZVDNSA-N 1 2 312.760 2.728 20 10 DFCDLO CN(Cc1ccc(N2CCOCC2)cc1)c1cc[nH+]c(C2CC2)n1 ZINC000110123841 426033187 /nfs/dbraw/zinc/03/31/87/426033187.db2.gz NRMJHROQLIDVSS-UHFFFAOYSA-N 1 2 324.428 2.827 20 10 DFCDLO FC(F)Oc1ccc(N2CCC[C@H]([NH2+]Cc3ccn[nH]3)C2)cc1 ZINC000174621572 426261191 /nfs/dbraw/zinc/26/11/91/426261191.db2.gz DVUYJYACKXMODC-ZDUSSCGKSA-N 1 2 322.359 2.770 20 10 DFCDLO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000152475164 426343858 /nfs/dbraw/zinc/34/38/58/426343858.db2.gz FKBCLIYUNDVMAZ-WRWORJQWSA-N 1 2 310.246 2.901 20 10 DFCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000093645151 426357648 /nfs/dbraw/zinc/35/76/48/426357648.db2.gz ZSLPYIIICOUJOJ-CYBMUJFWSA-N 1 2 312.207 2.766 20 10 DFCDLO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000093645151 426357651 /nfs/dbraw/zinc/35/76/51/426357651.db2.gz ZSLPYIIICOUJOJ-CYBMUJFWSA-N 1 2 312.207 2.766 20 10 DFCDLO COC(=O)C[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000177045597 426439687 /nfs/dbraw/zinc/43/96/87/426439687.db2.gz UVBVDCAPRCONAL-UHFFFAOYSA-N 1 2 313.781 2.632 20 10 DFCDLO COC(=O)C[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000177045597 426439689 /nfs/dbraw/zinc/43/96/89/426439689.db2.gz UVBVDCAPRCONAL-UHFFFAOYSA-N 1 2 313.781 2.632 20 10 DFCDLO C[C@H]([NH2+]CCOc1ncccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000273455239 426667468 /nfs/dbraw/zinc/66/74/68/426667468.db2.gz GZQAABWMPWEMJI-JTQLQIEISA-N 1 2 321.308 2.564 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000289797850 426675479 /nfs/dbraw/zinc/67/54/79/426675479.db2.gz SIUVPNUGLVYMSS-GFCCVEGCSA-N 1 2 301.333 2.647 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000289797850 426675484 /nfs/dbraw/zinc/67/54/84/426675484.db2.gz SIUVPNUGLVYMSS-GFCCVEGCSA-N 1 2 301.333 2.647 20 10 DFCDLO Oc1cc2c(cc1CNc1ccc(N3CCCC3)[nH+]c1)OCO2 ZINC000238141850 426710843 /nfs/dbraw/zinc/71/08/43/426710843.db2.gz SXSABWPULODYBO-UHFFFAOYSA-N 1 2 313.357 2.728 20 10 DFCDLO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000282043766 426818935 /nfs/dbraw/zinc/81/89/35/426818935.db2.gz ASQHMBWSUKQEKG-GOSISDBHSA-N 1 2 308.230 2.700 20 10 DFCDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc(F)ccc1O)C2 ZINC000180127623 426839006 /nfs/dbraw/zinc/83/90/06/426839006.db2.gz DDOIDDVSUFQKEL-UHFFFAOYSA-N 1 2 303.381 2.947 20 10 DFCDLO CC(C)c1nc2c(n1C)CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000180127623 426839013 /nfs/dbraw/zinc/83/90/13/426839013.db2.gz DDOIDDVSUFQKEL-UHFFFAOYSA-N 1 2 303.381 2.947 20 10 DFCDLO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000180127623 426839014 /nfs/dbraw/zinc/83/90/14/426839014.db2.gz DDOIDDVSUFQKEL-UHFFFAOYSA-N 1 2 303.381 2.947 20 10 DFCDLO CCCCN(Cc1ccccc1O)C(=O)CCn1cc[nH+]c1 ZINC000282473789 426915017 /nfs/dbraw/zinc/91/50/17/426915017.db2.gz KXKNFLKWRJAMQL-UHFFFAOYSA-N 1 2 301.390 2.808 20 10 DFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000180725837 426881664 /nfs/dbraw/zinc/88/16/64/426881664.db2.gz UGDMMXRYKQMOBT-VUDGCMKMSA-N 1 2 313.357 2.588 20 10 DFCDLO COc1cc(Cl)cc(C[NH+]2CC(O)(c3ccccc3)C2)c1O ZINC000291616606 426928923 /nfs/dbraw/zinc/92/89/23/426928923.db2.gz RKCAZPNCTDWZGQ-UHFFFAOYSA-N 1 2 319.788 2.758 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3ccc(F)cn3)CC2)cc1F ZINC000276248677 427015773 /nfs/dbraw/zinc/01/57/73/427015773.db2.gz PFANBJBVZOTCFW-UHFFFAOYSA-N 1 2 319.355 2.691 20 10 DFCDLO CCn1cc([C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)cn1 ZINC000276788675 427120171 /nfs/dbraw/zinc/12/01/71/427120171.db2.gz KRXWEVMNQUMCCX-INIZCTEOSA-N 1 2 321.808 2.836 20 10 DFCDLO CCn1cc([C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)cn1 ZINC000276788675 427120181 /nfs/dbraw/zinc/12/01/81/427120181.db2.gz KRXWEVMNQUMCCX-INIZCTEOSA-N 1 2 321.808 2.836 20 10 DFCDLO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000285531765 427263760 /nfs/dbraw/zinc/26/37/60/427263760.db2.gz PFFJKFBZJGPVMM-KCJUWKMLSA-N 1 2 302.237 2.996 20 10 DFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000191674827 427404800 /nfs/dbraw/zinc/40/48/00/427404800.db2.gz LJURSMHPGBNUJG-QKCSRTOESA-N 1 2 309.793 2.819 20 10 DFCDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000191674827 427404807 /nfs/dbraw/zinc/40/48/07/427404807.db2.gz LJURSMHPGBNUJG-QKCSRTOESA-N 1 2 309.793 2.819 20 10 DFCDLO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cl)c1O ZINC000271815761 427583777 /nfs/dbraw/zinc/58/37/77/427583777.db2.gz LXAAVHISXRZRPP-CQSZACIVSA-N 1 2 309.768 2.878 20 10 DFCDLO CCN(CC)C(=O)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294369150 427641479 /nfs/dbraw/zinc/64/14/79/427641479.db2.gz UGNRBRYJEPJVDH-UHFFFAOYSA-N 1 2 316.804 2.923 20 10 DFCDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733560 427648773 /nfs/dbraw/zinc/64/87/73/427648773.db2.gz QGCCYSAPTLTSHG-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733560 427648778 /nfs/dbraw/zinc/64/87/78/427648778.db2.gz QGCCYSAPTLTSHG-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000294718564 427649036 /nfs/dbraw/zinc/64/90/36/427649036.db2.gz PGZPKYJYCNAHCM-HNNXBMFYSA-N 1 2 315.772 2.566 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000294718564 427649044 /nfs/dbraw/zinc/64/90/44/427649044.db2.gz PGZPKYJYCNAHCM-HNNXBMFYSA-N 1 2 315.772 2.566 20 10 DFCDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185682487 427690370 /nfs/dbraw/zinc/69/03/70/427690370.db2.gz BXCVKEKLSQETQK-GXFFZTMASA-N 1 2 304.369 2.871 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000295097855 427690354 /nfs/dbraw/zinc/69/03/54/427690354.db2.gz BKXBTJLJOLDPEX-GOSISDBHSA-N 1 2 321.440 2.535 20 10 DFCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000295097855 427690359 /nfs/dbraw/zinc/69/03/59/427690359.db2.gz BKXBTJLJOLDPEX-GOSISDBHSA-N 1 2 321.440 2.535 20 10 DFCDLO CCOc1cccc(C[N@@H+]2CCOC[C@H]2c2ccco2)c1O ZINC000369775525 428061594 /nfs/dbraw/zinc/06/15/94/428061594.db2.gz YAXDCQMIWNKHBG-AWEZNQCLSA-N 1 2 303.358 2.957 20 10 DFCDLO CCOc1cccc(C[N@H+]2CCOC[C@H]2c2ccco2)c1O ZINC000369775525 428061599 /nfs/dbraw/zinc/06/15/99/428061599.db2.gz YAXDCQMIWNKHBG-AWEZNQCLSA-N 1 2 303.358 2.957 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)c3ccc[nH]3)CC2)cc1 ZINC000360421729 428291392 /nfs/dbraw/zinc/29/13/92/428291392.db2.gz FDJFIAMYNOUCHN-UHFFFAOYSA-N 1 2 313.401 2.764 20 10 DFCDLO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217871 428524581 /nfs/dbraw/zinc/52/45/81/428524581.db2.gz SJSIXSOXMCJBGE-JSGCOSHPSA-N 1 2 308.809 2.536 20 10 DFCDLO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2O)CN1 ZINC000373217871 428524585 /nfs/dbraw/zinc/52/45/85/428524585.db2.gz SJSIXSOXMCJBGE-JSGCOSHPSA-N 1 2 308.809 2.536 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000364506764 429215742 /nfs/dbraw/zinc/21/57/42/429215742.db2.gz RQMMSWQEDMSNPT-VIFPVBQESA-N 1 2 310.760 2.682 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000364506764 429215749 /nfs/dbraw/zinc/21/57/49/429215749.db2.gz RQMMSWQEDMSNPT-VIFPVBQESA-N 1 2 310.760 2.682 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]3CCOC[C@H]32)cc1F ZINC000366491950 429464746 /nfs/dbraw/zinc/46/47/46/429464746.db2.gz STIBOKXTPZUCAR-MSOLQXFVSA-N 1 2 322.424 2.662 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H]3CCOC[C@H]32)cc1F ZINC000366491950 429464750 /nfs/dbraw/zinc/46/47/50/429464750.db2.gz STIBOKXTPZUCAR-MSOLQXFVSA-N 1 2 322.424 2.662 20 10 DFCDLO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000367694334 429701357 /nfs/dbraw/zinc/70/13/57/429701357.db2.gz QPLOFHXRQFWDNY-ZDUSSCGKSA-N 1 2 303.793 2.791 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000368050194 429775094 /nfs/dbraw/zinc/77/50/94/429775094.db2.gz DGXWBXTWNDZQID-HNNXBMFYSA-N 1 2 315.772 2.566 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000368050194 429775096 /nfs/dbraw/zinc/77/50/96/429775096.db2.gz DGXWBXTWNDZQID-HNNXBMFYSA-N 1 2 315.772 2.566 20 10 DFCDLO C[C@H]([NH2+]CC1COC1)c1cc(Br)cc(F)c1O ZINC000528027514 429838436 /nfs/dbraw/zinc/83/84/36/429838436.db2.gz UHGJKDLELVUKDR-ZETCQYMHSA-N 1 2 304.159 2.591 20 10 DFCDLO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000184896216 279580016 /nfs/dbraw/zinc/58/00/16/279580016.db2.gz BCRDVHBXTXVHFH-MRVPVSSYSA-N 1 2 305.205 2.874 20 10 DFCDLO CC(C)C[C@H]1C(=O)NCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000293616062 335110275 /nfs/dbraw/zinc/11/02/75/335110275.db2.gz KKBBRWGKJWYXTO-AWEZNQCLSA-N 1 2 310.825 2.782 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000294118468 335120272 /nfs/dbraw/zinc/12/02/72/335120272.db2.gz KCSIKGZIYWEWBW-HVHJFMEUSA-N 1 2 308.385 2.829 20 10 DFCDLO COc1ccc(N2CC[NH+]([C@@H](C)c3cnccn3)CC2)cc1F ZINC000184611736 333198911 /nfs/dbraw/zinc/19/89/11/333198911.db2.gz SYORUIACSSNZJA-ZDUSSCGKSA-N 1 2 316.380 2.508 20 10 DFCDLO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000273409827 334046185 /nfs/dbraw/zinc/04/61/85/334046185.db2.gz PMTUYZBVROOVCJ-MEDUHNTESA-N 1 2 302.330 2.685 20 10 DFCDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000276539022 334081420 /nfs/dbraw/zinc/08/14/20/334081420.db2.gz XKHWXIKRVRTXKN-QGZVFWFLSA-N 1 2 313.397 2.883 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)ccc21 ZINC000375396608 337010225 /nfs/dbraw/zinc/01/02/25/337010225.db2.gz VWVMRTDWUGMUGZ-GOSISDBHSA-N 1 2 319.412 2.676 20 10 DFCDLO CC(C)n1ncnc1C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365032396 520128728 /nfs/dbraw/zinc/12/87/28/520128728.db2.gz GBLKCCRGIDWSFD-UHFFFAOYSA-N 1 2 311.433 2.824 20 10 DFCDLO CC(C)n1ncnc1C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365032396 520128735 /nfs/dbraw/zinc/12/87/35/520128735.db2.gz GBLKCCRGIDWSFD-UHFFFAOYSA-N 1 2 311.433 2.824 20 10 DFCDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000132191566 525151740 /nfs/dbraw/zinc/15/17/40/525151740.db2.gz NFLDLAVFWREDCA-ZJUUUORDSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Br)ccc1O ZINC000132191566 525151748 /nfs/dbraw/zinc/15/17/48/525151748.db2.gz NFLDLAVFWREDCA-ZJUUUORDSA-N 1 2 300.196 2.764 20 10 DFCDLO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(F)c(F)c1O ZINC000191189032 525438336 /nfs/dbraw/zinc/43/83/36/525438336.db2.gz CQYOCVIITIBKCK-VXGBXAGGSA-N 1 2 315.360 2.907 20 10 DFCDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180155978 526122500 /nfs/dbraw/zinc/12/25/00/526122500.db2.gz OIIOWLKSYHNFHM-AWEZNQCLSA-N 1 2 315.392 2.805 20 10 DFCDLO Oc1c(Cl)cccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000158023703 526325565 /nfs/dbraw/zinc/32/55/65/526325565.db2.gz ZMDXKKKOPDRGOS-UHFFFAOYSA-N 1 2 308.731 2.726 20 10 DFCDLO O=C1CCCN1C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180053823 526973594 /nfs/dbraw/zinc/97/35/94/526973594.db2.gz FQMRCACCGDIXLC-UHFFFAOYSA-N 1 2 308.809 2.632 20 10 DFCDLO COc1ccc(N2CC[NH+](Cc3nc(C)cs3)CC2)cc1 ZINC000088575083 185258253 /nfs/dbraw/zinc/25/82/53/185258253.db2.gz ODMPVPKHMRDZQT-UHFFFAOYSA-N 1 2 303.431 2.782 20 10 DFCDLO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000289652889 283311196 /nfs/dbraw/zinc/31/11/96/283311196.db2.gz MVDBUJIBCMFGMM-ZDUSSCGKSA-N 1 2 310.825 2.926 20 10 DFCDLO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000289652889 283311197 /nfs/dbraw/zinc/31/11/97/283311197.db2.gz MVDBUJIBCMFGMM-ZDUSSCGKSA-N 1 2 310.825 2.926 20 10 DFCDLO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)C1 ZINC000186137794 291181587 /nfs/dbraw/zinc/18/15/87/291181587.db2.gz IVKDOBVUGGPFPD-ZETCQYMHSA-N 1 2 319.188 2.800 20 10 DFCDLO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(F)c(F)c1O ZINC000187781683 299299821 /nfs/dbraw/zinc/29/98/21/299299821.db2.gz PEKFMUNAJGYQTQ-VIFPVBQESA-N 1 2 321.389 2.534 20 10 DFCDLO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)c(Cl)c1O ZINC000185974307 296129821 /nfs/dbraw/zinc/12/98/21/296129821.db2.gz ZIASFWGKEOTCJO-NXEZZACHSA-N 1 2 319.232 2.680 20 10 DFCDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(Cl)c(Cl)c1O ZINC000273591117 130142071 /nfs/dbraw/zinc/14/20/71/130142071.db2.gz PGDOAMABCFMSBA-HTQZYQBOSA-N 1 2 303.189 2.580 20 10 DFCDLO CC[N@H+](Cc1c(O)cccc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000126375407 426017257 /nfs/dbraw/zinc/01/72/57/426017257.db2.gz VASOKRUCOGTVRS-NSHDSACASA-N 1 2 319.854 2.691 20 10 DFCDLO CC[N@@H+](Cc1c(O)cccc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000126375407 426017260 /nfs/dbraw/zinc/01/72/60/426017260.db2.gz VASOKRUCOGTVRS-NSHDSACASA-N 1 2 319.854 2.691 20 10 DFCDLO CC[N@H+](Cc1c(O)cccc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000126375650 426017545 /nfs/dbraw/zinc/01/75/45/426017545.db2.gz VASOKRUCOGTVRS-LLVKDONJSA-N 1 2 319.854 2.691 20 10 DFCDLO CC[N@@H+](Cc1c(O)cccc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000126375650 426017548 /nfs/dbraw/zinc/01/75/48/426017548.db2.gz VASOKRUCOGTVRS-LLVKDONJSA-N 1 2 319.854 2.691 20 10 DFCDLO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000136014422 426233242 /nfs/dbraw/zinc/23/32/42/426233242.db2.gz RTRQQWCPSQJMGD-AWEZNQCLSA-N 1 2 313.401 2.590 20 10 DFCDLO CCOC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000218989564 426569870 /nfs/dbraw/zinc/56/98/70/426569870.db2.gz FOFYOQIQFDMDFB-UHFFFAOYSA-N 1 2 300.196 2.812 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H](C)[S@]1=O ZINC000289667859 426670434 /nfs/dbraw/zinc/67/04/34/426670434.db2.gz NKKSHEGIRZHAAY-KFHAODIQSA-N 1 2 301.839 2.777 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H](C)[S@]1=O ZINC000289667859 426670437 /nfs/dbraw/zinc/67/04/37/426670437.db2.gz NKKSHEGIRZHAAY-KFHAODIQSA-N 1 2 301.839 2.777 20 10 DFCDLO CCOCc1cc(C[NH2+]Cc2nnc(CC)s2)ccc1OC ZINC000289857700 426675946 /nfs/dbraw/zinc/67/59/46/426675946.db2.gz QCJRZHQTALEMMA-UHFFFAOYSA-N 1 2 321.446 2.935 20 10 DFCDLO CC(C)OCc1nc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)no1 ZINC000290059763 426684188 /nfs/dbraw/zinc/68/41/88/426684188.db2.gz XQMUTWBXBXYWJS-CYBMUJFWSA-N 1 2 318.421 2.911 20 10 DFCDLO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000187756685 426691348 /nfs/dbraw/zinc/69/13/48/426691348.db2.gz ASIQKHMWMZEENE-WDEREUQCSA-N 1 2 301.333 2.517 20 10 DFCDLO CC(C)[N@H+](Cc1ncnn1CCF)Cc1ccc(N(C)C)cc1 ZINC000281403012 426717277 /nfs/dbraw/zinc/71/72/77/426717277.db2.gz FWACKMFPOVRYEB-UHFFFAOYSA-N 1 2 319.428 2.724 20 10 DFCDLO CC(C)[N@@H+](Cc1ncnn1CCF)Cc1ccc(N(C)C)cc1 ZINC000281403012 426717279 /nfs/dbraw/zinc/71/72/79/426717279.db2.gz FWACKMFPOVRYEB-UHFFFAOYSA-N 1 2 319.428 2.724 20 10 DFCDLO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(F)c(F)c1O ZINC000187792573 426695266 /nfs/dbraw/zinc/69/52/66/426695266.db2.gz YGJYUAGAZHCMBZ-JTQLQIEISA-N 1 2 312.360 2.627 20 10 DFCDLO C[C@@H]1CN(C2CC[NH+](Cc3cccc(Cl)c3O)CC2)CCO1 ZINC000179785229 426816781 /nfs/dbraw/zinc/81/67/81/426816781.db2.gz SAPSIDLVHFCHRF-CYBMUJFWSA-N 1 2 324.852 2.731 20 10 DFCDLO CC(C)OCc1nc([C@H](C)[NH2+]Cc2cccc(F)c2O)no1 ZINC000290862341 426858996 /nfs/dbraw/zinc/85/89/96/426858996.db2.gz JSNZDYHWOMAUHI-JTQLQIEISA-N 1 2 309.341 2.690 20 10 DFCDLO CCCC[N@H+](Cc1nnnn1C1CC1)Cc1ccccc1O ZINC000282421779 426909932 /nfs/dbraw/zinc/90/99/32/426909932.db2.gz JJGNSRLYCTXWFJ-UHFFFAOYSA-N 1 2 301.394 2.516 20 10 DFCDLO CCCC[N@@H+](Cc1nnnn1C1CC1)Cc1ccccc1O ZINC000282421779 426909939 /nfs/dbraw/zinc/90/99/39/426909939.db2.gz JJGNSRLYCTXWFJ-UHFFFAOYSA-N 1 2 301.394 2.516 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCN(CC(F)F)CC1 ZINC000295404850 426946863 /nfs/dbraw/zinc/94/68/63/426946863.db2.gz RBWBHLCXANIXGV-UHFFFAOYSA-N 1 2 308.731 2.567 20 10 DFCDLO CCCc1nc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000291766448 426980586 /nfs/dbraw/zinc/98/05/86/426980586.db2.gz SHCYBKWUKCRAFQ-UHFFFAOYSA-N 1 2 305.334 2.839 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+]Cc2cccc(OCC)c2O)no1 ZINC000291658484 426943887 /nfs/dbraw/zinc/94/38/87/426943887.db2.gz VFEQEWWUXFILPH-NSHDSACASA-N 1 2 321.377 2.561 20 10 DFCDLO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000284290950 427175296 /nfs/dbraw/zinc/17/52/96/427175296.db2.gz BBIRZBJDTOTJGU-CYBMUJFWSA-N 1 2 310.825 2.926 20 10 DFCDLO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000284290950 427175302 /nfs/dbraw/zinc/17/53/02/427175302.db2.gz BBIRZBJDTOTJGU-CYBMUJFWSA-N 1 2 310.825 2.926 20 10 DFCDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nnc2n1CCC2 ZINC000293716350 427414710 /nfs/dbraw/zinc/41/47/10/427414710.db2.gz VFWQANOLSGBUCP-QMMMGPOBSA-N 1 2 310.760 2.573 20 10 DFCDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCOC1CCOCC1 ZINC000293745562 427422163 /nfs/dbraw/zinc/42/21/63/427422163.db2.gz XQXILSUNYYGTMO-UHFFFAOYSA-N 1 2 317.788 2.860 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000294697163 427647375 /nfs/dbraw/zinc/64/73/75/427647375.db2.gz NWWKFEJDQFJNRZ-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000294697163 427647380 /nfs/dbraw/zinc/64/73/80/427647380.db2.gz NWWKFEJDQFJNRZ-BMIGLBTASA-N 1 2 315.772 2.565 20 10 DFCDLO COc1ccc([N@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C2CC2)cc1 ZINC000280020811 427726491 /nfs/dbraw/zinc/72/64/91/427726491.db2.gz MMPALCLZPCRJPW-KGLIPLIRSA-N 1 2 323.458 2.735 20 10 DFCDLO COc1ccc([N@@H+](C[C@@H]2CCS(=O)(=O)C2)[C@H](C)C2CC2)cc1 ZINC000280020811 427726496 /nfs/dbraw/zinc/72/64/96/427726496.db2.gz MMPALCLZPCRJPW-KGLIPLIRSA-N 1 2 323.458 2.735 20 10 DFCDLO CCCS(=O)(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299077500 427747239 /nfs/dbraw/zinc/74/72/39/427747239.db2.gz JBFHEABMZMDPED-UHFFFAOYSA-N 1 2 324.490 2.542 20 10 DFCDLO CCCS(=O)(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299077500 427747241 /nfs/dbraw/zinc/74/72/41/427747241.db2.gz JBFHEABMZMDPED-UHFFFAOYSA-N 1 2 324.490 2.542 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C)c1O ZINC000374189807 428667688 /nfs/dbraw/zinc/66/76/88/428667688.db2.gz LHZWYVNRFNAYFX-SJORKVTESA-N 1 2 320.408 2.793 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCN2C)c1O ZINC000374189807 428667694 /nfs/dbraw/zinc/66/76/94/428667694.db2.gz LHZWYVNRFNAYFX-SJORKVTESA-N 1 2 320.408 2.793 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000362232149 428668334 /nfs/dbraw/zinc/66/83/34/428668334.db2.gz AUGGQXGIRAFSBD-CYBMUJFWSA-N 1 2 318.808 2.594 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCN2C)c1O ZINC000374189804 428668459 /nfs/dbraw/zinc/66/84/59/428668459.db2.gz LHZWYVNRFNAYFX-IAGOWNOFSA-N 1 2 320.408 2.793 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCN2C)c1O ZINC000374189804 428668467 /nfs/dbraw/zinc/66/84/67/428668467.db2.gz LHZWYVNRFNAYFX-IAGOWNOFSA-N 1 2 320.408 2.793 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2COc3cccc(F)c32)c1 ZINC000374678488 428730932 /nfs/dbraw/zinc/73/09/32/428730932.db2.gz LDFICDHNZCRVIJ-GFCCVEGCSA-N 1 2 304.277 2.663 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cccc(Cl)c1O ZINC000287125989 288044034 /nfs/dbraw/zinc/04/40/34/288044034.db2.gz RJWQLHIVAJCORZ-HUBLWGQQSA-N 1 2 313.825 2.731 20 10 DFCDLO CC[C@H]([NH2+]C[C@@H](O)COC)c1cc(Cl)cc(Cl)c1O ZINC000287021325 288044084 /nfs/dbraw/zinc/04/40/84/288044084.db2.gz LFAYHNYSMFJJFA-SKDRFNHKSA-N 1 2 308.205 2.747 20 10 DFCDLO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293768778 281525437 /nfs/dbraw/zinc/52/54/37/281525437.db2.gz ZSERHRGRKFFBGV-GFCCVEGCSA-N 1 2 324.787 2.963 20 10 DFCDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185682467 288634383 /nfs/dbraw/zinc/63/43/83/288634383.db2.gz BXCVKEKLSQETQK-GWCFXTLKSA-N 1 2 304.369 2.871 20 10 DFCDLO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1O ZINC000278820017 289971090 /nfs/dbraw/zinc/97/10/90/289971090.db2.gz OEABVULTWUFAOI-QIBSRJKCSA-N 1 2 320.216 2.890 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC2(CCOCC2)O1 ZINC000280444170 297031751 /nfs/dbraw/zinc/03/17/51/297031751.db2.gz KREGBCFSTXQKJO-GFCCVEGCSA-N 1 2 311.809 2.816 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC2(CCOCC2)O1 ZINC000280444170 297031754 /nfs/dbraw/zinc/03/17/54/297031754.db2.gz KREGBCFSTXQKJO-GFCCVEGCSA-N 1 2 311.809 2.816 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295153706 335132899 /nfs/dbraw/zinc/13/28/99/335132899.db2.gz RKTMUVPNUCQWDR-CQSZACIVSA-N 1 2 309.768 2.878 20 10 DFCDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000273466466 334047605 /nfs/dbraw/zinc/04/76/05/334047605.db2.gz IYVMKYMXEBBSTL-UWVGGRQHSA-N 1 2 319.365 2.954 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H](C)OC)CC2)cc1 ZINC000368850274 336854004 /nfs/dbraw/zinc/85/40/04/336854004.db2.gz IYBZPLNXXZPLBO-CQSZACIVSA-N 1 2 320.433 2.547 20 10 DFCDLO Cc1nc([C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000180107925 337171399 /nfs/dbraw/zinc/17/13/99/337171399.db2.gz UPXUUUIMNTZRSF-KRWDZBQOSA-N 1 2 324.384 2.545 20 10 DFCDLO Cc1nc([C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)n[nH]1 ZINC000180107925 337171400 /nfs/dbraw/zinc/17/14/00/337171400.db2.gz UPXUUUIMNTZRSF-KRWDZBQOSA-N 1 2 324.384 2.545 20 10 DFCDLO CC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cccc(Cl)c1O ZINC000287868637 535805167 /nfs/dbraw/zinc/80/51/67/535805167.db2.gz XUGRVGADCDCHLO-TZMCWYRMSA-N 1 2 301.839 2.954 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000131535565 521143524 /nfs/dbraw/zinc/14/35/24/521143524.db2.gz LCXQXEMNBGDZLX-LBPRGKRZSA-N 1 2 309.406 2.953 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000131535565 521143531 /nfs/dbraw/zinc/14/35/31/521143531.db2.gz LCXQXEMNBGDZLX-LBPRGKRZSA-N 1 2 309.406 2.953 20 10 DFCDLO CCOc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000131506626 521334540 /nfs/dbraw/zinc/33/45/40/521334540.db2.gz GXUGPCUAXQXJTJ-LBPRGKRZSA-N 1 2 309.406 2.953 20 10 DFCDLO CCOc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000131506626 521334549 /nfs/dbraw/zinc/33/45/49/521334549.db2.gz GXUGPCUAXQXJTJ-LBPRGKRZSA-N 1 2 309.406 2.953 20 10 DFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000191674862 523813487 /nfs/dbraw/zinc/81/34/87/523813487.db2.gz LJURSMHPGBNUJG-OSMZGAPFSA-N 1 2 309.793 2.819 20 10 DFCDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000191674862 523813490 /nfs/dbraw/zinc/81/34/90/523813490.db2.gz LJURSMHPGBNUJG-OSMZGAPFSA-N 1 2 309.793 2.819 20 10 DFCDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(F)c(F)c1O ZINC000191185929 525494965 /nfs/dbraw/zinc/49/49/65/525494965.db2.gz HFSPGLYCBKLQMG-JTQLQIEISA-N 1 2 322.359 2.839 20 10 DFCDLO CCOc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000092831530 185344667 /nfs/dbraw/zinc/34/46/67/185344667.db2.gz TVMGHZJHYUITLD-AWEZNQCLSA-N 1 2 320.414 2.821 20 10 DFCDLO CCOc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000092831530 185344668 /nfs/dbraw/zinc/34/46/68/185344668.db2.gz TVMGHZJHYUITLD-AWEZNQCLSA-N 1 2 320.414 2.821 20 10 DFCDLO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1O ZINC000273489263 296133899 /nfs/dbraw/zinc/13/38/99/296133899.db2.gz NVEKWQHOOAJQLA-YPMHNXCESA-N 1 2 322.361 2.637 20 10 DFCDLO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc(F)c(F)c1O ZINC000290207511 299398052 /nfs/dbraw/zinc/39/80/52/299398052.db2.gz HCEJAWIRVHYIJB-VAHXTSCQSA-N 1 2 321.323 2.816 20 10 DFCDLO CCN1C(=O)/C(=C\c2[nH+]ccn2CC(F)(F)F)SC1=S ZINC000209320611 399202777 /nfs/dbraw/zinc/20/27/77/399202777.db2.gz IAHHIHAOJOMHFA-FNORWQNLSA-N 1 2 321.349 2.667 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000105486823 194106667 /nfs/dbraw/zinc/10/66/67/194106667.db2.gz OGJUDXZXRGIFEH-AWEZNQCLSA-N 1 2 300.314 2.783 20 10 DFCDLO Cc1csc([C@H]2C[N@H+](Cc3cccc(F)c3O)CCO2)n1 ZINC000272223623 130008993 /nfs/dbraw/zinc/00/89/93/130008993.db2.gz CLYKVISDBFOTKS-CYBMUJFWSA-N 1 2 308.378 2.870 20 10 DFCDLO Cc1csc([C@H]2C[N@@H+](Cc3cccc(F)c3O)CCO2)n1 ZINC000272223623 130008995 /nfs/dbraw/zinc/00/89/95/130008995.db2.gz CLYKVISDBFOTKS-CYBMUJFWSA-N 1 2 308.378 2.870 20 10 DFCDLO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272323236 130020466 /nfs/dbraw/zinc/02/04/66/130020466.db2.gz UTFQXUPHNCUBNC-AWEZNQCLSA-N 1 2 315.392 2.805 20 10 DFCDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000272323236 130020469 /nfs/dbraw/zinc/02/04/69/130020469.db2.gz UTFQXUPHNCUBNC-AWEZNQCLSA-N 1 2 315.392 2.805 20 10 DFCDLO Oc1cccc(Cl)c1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000272717817 130057032 /nfs/dbraw/zinc/05/70/32/130057032.db2.gz DUANHUSRZXFTBE-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO Oc1cccc(Cl)c1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000272717817 130057034 /nfs/dbraw/zinc/05/70/34/130057034.db2.gz DUANHUSRZXFTBE-UHFFFAOYSA-N 1 2 317.820 2.758 20 10 DFCDLO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273358184 130110857 /nfs/dbraw/zinc/11/08/57/130110857.db2.gz DFTYCOZALOKJDY-YVEFUNNKSA-N 1 2 316.357 2.993 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274330231 130227307 /nfs/dbraw/zinc/22/73/07/130227307.db2.gz CUKIASSGPMYECK-UHFFFAOYSA-N 1 2 309.822 2.680 20 10 DFCDLO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000275365879 130308996 /nfs/dbraw/zinc/30/89/96/130308996.db2.gz BMIWNHNFPCJFQD-BLLLJJGKSA-N 1 2 321.808 2.647 20 10 DFCDLO CC1CCN(c2ccc(CNC(=O)C=Cc3c[nH]c[nH+]3)cc2)CC1 ZINC000284088968 131048109 /nfs/dbraw/zinc/04/81/09/131048109.db2.gz SMSGTHPITOAHGC-QPJJXVBHSA-N 1 2 324.428 2.976 20 10 DFCDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1O ZINC000297319172 132009271 /nfs/dbraw/zinc/00/92/71/132009271.db2.gz NFQGKOKENIRHMJ-OCCSQVGLSA-N 1 2 319.792 2.708 20 10 DFCDLO Cc1cccc2c1N(C1CC1)CCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493759877 299823356 /nfs/dbraw/zinc/82/33/56/299823356.db2.gz UUCOFPBPOKJYOQ-YVMONPNESA-N 1 2 308.385 2.747 20 10 DFCDLO Cc1cc(Br)cc(C[N@H+]2CCOC[C@H]2C)c1O ZINC000124547805 425925709 /nfs/dbraw/zinc/92/57/09/425925709.db2.gz MEJPAYVUEIIDCG-SNVBAGLBSA-N 1 2 300.196 2.684 20 10 DFCDLO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000289797854 426675731 /nfs/dbraw/zinc/67/57/31/426675731.db2.gz SIUVPNUGLVYMSS-LBPRGKRZSA-N 1 2 301.333 2.647 20 10 DFCDLO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000289797854 426675735 /nfs/dbraw/zinc/67/57/35/426675735.db2.gz SIUVPNUGLVYMSS-LBPRGKRZSA-N 1 2 301.333 2.647 20 10 DFCDLO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000281155475 426703533 /nfs/dbraw/zinc/70/35/33/426703533.db2.gz OUSHKFGIHONUFO-JQWIXIFHSA-N 1 2 312.360 2.580 20 10 DFCDLO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2O)no1 ZINC000290280669 426731695 /nfs/dbraw/zinc/73/16/95/426731695.db2.gz XDEHCMPCZPOACT-UWVGGRQHSA-N 1 2 309.341 2.863 20 10 DFCDLO C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290379315 426753954 /nfs/dbraw/zinc/75/39/54/426753954.db2.gz HYWJMIBHGNWGGC-UHFFFAOYSA-N 1 2 324.768 2.672 20 10 DFCDLO C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290379315 426753959 /nfs/dbraw/zinc/75/39/59/426753959.db2.gz HYWJMIBHGNWGGC-UHFFFAOYSA-N 1 2 324.768 2.672 20 10 DFCDLO COc1ccc(O)c(C[NH2+][C@@H](CC(C)C)C(=O)OC(C)C)c1 ZINC000192005662 427463226 /nfs/dbraw/zinc/46/32/26/427463226.db2.gz DMVNCQNKXAHXEU-HNNXBMFYSA-N 1 2 309.406 2.857 20 10 DFCDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)[nH]1 ZINC000271762310 427582952 /nfs/dbraw/zinc/58/29/52/427582952.db2.gz FCBMKUYYHZIMIK-GFCCVEGCSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)[nH]1 ZINC000271762310 427582959 /nfs/dbraw/zinc/58/29/59/427582959.db2.gz FCBMKUYYHZIMIK-GFCCVEGCSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000271762310 427582962 /nfs/dbraw/zinc/58/29/62/427582962.db2.gz FCBMKUYYHZIMIK-GFCCVEGCSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000271762310 427582969 /nfs/dbraw/zinc/58/29/69/427582969.db2.gz FCBMKUYYHZIMIK-GFCCVEGCSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n[nH]1 ZINC000271762310 427582976 /nfs/dbraw/zinc/58/29/76/427582976.db2.gz FCBMKUYYHZIMIK-GFCCVEGCSA-N 1 2 306.797 2.852 20 10 DFCDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n[nH]1 ZINC000271762310 427582978 /nfs/dbraw/zinc/58/29/78/427582978.db2.gz FCBMKUYYHZIMIK-GFCCVEGCSA-N 1 2 306.797 2.852 20 10 DFCDLO COC(=O)[C@@H](C)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000193097566 427665323 /nfs/dbraw/zinc/66/53/23/427665323.db2.gz PLOUSXWCFVORGG-CYBMUJFWSA-N 1 2 315.369 2.622 20 10 DFCDLO C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000294697188 427647797 /nfs/dbraw/zinc/64/77/97/427647797.db2.gz NWWKFEJDQFJNRZ-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000294697188 427647803 /nfs/dbraw/zinc/64/78/03/427647803.db2.gz NWWKFEJDQFJNRZ-ZUZCIYMTSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733579 427648966 /nfs/dbraw/zinc/64/89/66/427648966.db2.gz QGCCYSAPTLTSHG-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)c(F)cc1O)CCO2 ZINC000294733579 427648974 /nfs/dbraw/zinc/64/89/74/427648974.db2.gz QGCCYSAPTLTSHG-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO COc1ccc(O)c([C@@H](C)N2CCn3c(C)c(C)[nH+]c3C2)c1 ZINC000372601266 428475478 /nfs/dbraw/zinc/47/54/78/428475478.db2.gz MYMWIYLYJBCGJK-CYBMUJFWSA-N 1 2 301.390 2.791 20 10 DFCDLO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373819403 428649685 /nfs/dbraw/zinc/64/96/85/428649685.db2.gz XROXLOMSRKADDH-ZDUSSCGKSA-N 1 2 324.432 2.534 20 10 DFCDLO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373819403 428649692 /nfs/dbraw/zinc/64/96/92/428649692.db2.gz XROXLOMSRKADDH-ZDUSSCGKSA-N 1 2 324.432 2.534 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@H+]2C[C@@H](C)CS(C)(=O)=O ZINC000374299475 428671359 /nfs/dbraw/zinc/67/13/59/428671359.db2.gz ZGCIVZYORHKAAA-CYBMUJFWSA-N 1 2 311.447 2.519 20 10 DFCDLO COc1ccc2c(c1)CCCC[N@@H+]2C[C@@H](C)CS(C)(=O)=O ZINC000374299475 428671363 /nfs/dbraw/zinc/67/13/63/428671363.db2.gz ZGCIVZYORHKAAA-CYBMUJFWSA-N 1 2 311.447 2.519 20 10 DFCDLO Nc1nccc([C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000375074413 428798170 /nfs/dbraw/zinc/79/81/70/428798170.db2.gz LTIODAXISCXSQB-LLVKDONJSA-N 1 2 318.808 2.797 20 10 DFCDLO Nc1nccc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000375074413 428798173 /nfs/dbraw/zinc/79/81/73/428798173.db2.gz LTIODAXISCXSQB-LLVKDONJSA-N 1 2 318.808 2.797 20 10 DFCDLO CC(C)OC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000365358327 429306023 /nfs/dbraw/zinc/30/60/23/429306023.db2.gz JWEWUYLDSBQRFP-NSHDSACASA-N 1 2 317.788 2.811 20 10 DFCDLO CC(C)OC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000365358327 429306026 /nfs/dbraw/zinc/30/60/26/429306026.db2.gz JWEWUYLDSBQRFP-NSHDSACASA-N 1 2 317.788 2.811 20 10 DFCDLO CC(=O)c1cc(Cl)cc(CN2CCc3c([nH+]cn3C)C2)c1O ZINC000365884935 429396465 /nfs/dbraw/zinc/39/64/65/429396465.db2.gz KKQRQMCLUDJSPB-UHFFFAOYSA-N 1 2 319.792 2.540 20 10 DFCDLO Cn1cc(C[C@H]2CC[N@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000367733774 429708745 /nfs/dbraw/zinc/70/87/45/429708745.db2.gz YNJVJZHHARURFB-GFCCVEGCSA-N 1 2 305.809 2.844 20 10 DFCDLO Cn1cc(C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3O)C2)cn1 ZINC000367733774 429708750 /nfs/dbraw/zinc/70/87/50/429708750.db2.gz YNJVJZHHARURFB-GFCCVEGCSA-N 1 2 305.809 2.844 20 10 DFCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)C2 ZINC000369035431 429908597 /nfs/dbraw/zinc/90/85/97/429908597.db2.gz MERCQGRRSRGOBP-BXKDBHETSA-N 1 2 319.355 2.977 20 10 DFCDLO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C2 ZINC000369035502 429908819 /nfs/dbraw/zinc/90/88/19/429908819.db2.gz MERCQGRRSRGOBP-JOYOIKCWSA-N 1 2 319.355 2.977 20 10 DFCDLO COc1c(C)[nH+]cnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000656107090 431262758 /nfs/dbraw/zinc/26/27/58/431262758.db2.gz MGQLNLGJRRXAHY-UHFFFAOYSA-N 1 2 321.384 2.964 20 10 DFCDLO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000186203428 293172439 /nfs/dbraw/zinc/17/24/39/293172439.db2.gz UCPQJEILZCIGEZ-RKDXNWHRSA-N 1 2 308.205 2.747 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000279243821 334107105 /nfs/dbraw/zinc/10/71/05/334107105.db2.gz GHQDZHPPSHHPPX-QLJPJBMISA-N 1 2 307.365 2.733 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000279243821 334107106 /nfs/dbraw/zinc/10/71/06/334107106.db2.gz GHQDZHPPSHHPPX-QLJPJBMISA-N 1 2 307.365 2.733 20 10 DFCDLO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cccc(Cl)c1O ZINC000367910919 336832277 /nfs/dbraw/zinc/83/22/77/336832277.db2.gz MALFYEYJLBRGFU-XJKSGUPXSA-N 1 2 324.852 2.950 20 10 DFCDLO O=[N+]([O-])c1ccc(O)c(CNc2[nH+]cccc2N2CCCC2)c1 ZINC000377134758 337047470 /nfs/dbraw/zinc/04/74/70/337047470.db2.gz UECTXKDEIQZRRY-UHFFFAOYSA-N 1 2 314.345 2.908 20 10 DFCDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000377657267 337057595 /nfs/dbraw/zinc/05/75/95/337057595.db2.gz ZSDAYKDBQVVJSL-QMTHXVAHSA-N 1 2 303.362 2.990 20 10 DFCDLO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@@H]2c2noc(C)n2)c1 ZINC000377657267 337057596 /nfs/dbraw/zinc/05/75/96/337057596.db2.gz ZSDAYKDBQVVJSL-QMTHXVAHSA-N 1 2 303.362 2.990 20 10 DFCDLO Oc1c(Cl)cccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000378447445 337073164 /nfs/dbraw/zinc/07/31/64/337073164.db2.gz AMQWTOFKMWSYFU-UHFFFAOYSA-N 1 2 303.789 2.665 20 10 DFCDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000185624404 337249633 /nfs/dbraw/zinc/24/96/33/337249633.db2.gz QWOVXPVEMZTRIY-QGZVFWFLSA-N 1 2 314.360 2.513 20 10 DFCDLO Cc1cc(F)ccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000185624404 337249634 /nfs/dbraw/zinc/24/96/34/337249634.db2.gz QWOVXPVEMZTRIY-QGZVFWFLSA-N 1 2 314.360 2.513 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000191440646 337297002 /nfs/dbraw/zinc/29/70/02/337297002.db2.gz OGPNBQYAFKNPFL-UONOGXRCSA-N 1 2 315.772 2.565 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000191440646 337297003 /nfs/dbraw/zinc/29/70/03/337297003.db2.gz OGPNBQYAFKNPFL-UONOGXRCSA-N 1 2 315.772 2.565 20 10 DFCDLO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc(Cl)c(Cl)c1O ZINC000530227004 340783189 /nfs/dbraw/zinc/78/31/89/340783189.db2.gz QNMVJSCLBAPBHC-BXKDBHETSA-N 1 2 319.232 2.728 20 10 DFCDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179932416 519876356 /nfs/dbraw/zinc/87/63/56/519876356.db2.gz FWRITDWSKTUUEK-ZDUSSCGKSA-N 1 2 310.825 2.926 20 10 DFCDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179932416 519876358 /nfs/dbraw/zinc/87/63/58/519876358.db2.gz FWRITDWSKTUUEK-ZDUSSCGKSA-N 1 2 310.825 2.926 20 10 DFCDLO CCOc1ccc(O)c(C[NH+]2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000365669286 521143147 /nfs/dbraw/zinc/14/31/47/521143147.db2.gz TUGVDNANUJRRHS-UHFFFAOYSA-N 1 2 317.360 2.633 20 10 DFCDLO CCc1nc([C@H]2CCC[N@@H+]2Cc2cc(OC)ccc2O)no1 ZINC000364905496 522467487 /nfs/dbraw/zinc/46/74/87/522467487.db2.gz OMPBBZZQDVCREH-CYBMUJFWSA-N 1 2 303.362 2.683 20 10 DFCDLO CCc1nc([C@H]2CCC[N@H+]2Cc2cc(OC)ccc2O)no1 ZINC000364905496 522467493 /nfs/dbraw/zinc/46/74/93/522467493.db2.gz OMPBBZZQDVCREH-CYBMUJFWSA-N 1 2 303.362 2.683 20 10 DFCDLO COCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000188826171 524032796 /nfs/dbraw/zinc/03/27/96/524032796.db2.gz DTZVJSPINRKSFY-GFCCVEGCSA-N 1 2 320.216 2.936 20 10 DFCDLO COCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000188826171 524032798 /nfs/dbraw/zinc/03/27/98/524032798.db2.gz DTZVJSPINRKSFY-GFCCVEGCSA-N 1 2 320.216 2.936 20 10 DFCDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131036916 524673197 /nfs/dbraw/zinc/67/31/97/524673197.db2.gz WSYOWRGUROYKIP-NTCNTBNZSA-N 1 2 310.246 2.898 20 10 DFCDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000131036916 524673208 /nfs/dbraw/zinc/67/32/08/524673208.db2.gz WSYOWRGUROYKIP-NTCNTBNZSA-N 1 2 310.246 2.898 20 10 DFCDLO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc(F)c(F)c1O ZINC000191189014 525340903 /nfs/dbraw/zinc/34/09/03/525340903.db2.gz CQYOCVIITIBKCK-NWDGAFQWSA-N 1 2 315.360 2.907 20 10 DFCDLO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(F)c(F)c1O ZINC000187924756 525626075 /nfs/dbraw/zinc/62/60/75/525626075.db2.gz FCFSIJAHBKTUIJ-DGCLKSJQSA-N 1 2 307.340 2.925 20 10 DFCDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180774037 526325644 /nfs/dbraw/zinc/32/56/44/526325644.db2.gz ITHBQIADGYSQGL-GFCCVEGCSA-N 1 2 306.797 2.549 20 10 DFCDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180774037 526325649 /nfs/dbraw/zinc/32/56/49/526325649.db2.gz ITHBQIADGYSQGL-GFCCVEGCSA-N 1 2 306.797 2.549 20 10 DFCDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000180725856 527612685 /nfs/dbraw/zinc/61/26/85/527612685.db2.gz UGDMMXRYKQMOBT-IYNGYCSASA-N 1 2 313.357 2.588 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCC(C)C)CC2)cc1 ZINC000066149283 398359340 /nfs/dbraw/zinc/35/93/40/398359340.db2.gz AAYKJAVVUOIXQN-UHFFFAOYSA-N 1 2 319.449 2.961 20 10 DFCDLO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Cl)c(Cl)c1O ZINC000186178618 299322302 /nfs/dbraw/zinc/32/23/02/299322302.db2.gz BSOOCWOZYJXGOP-ISVAXAHUSA-N 1 2 306.189 2.501 20 10 DFCDLO CC(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000092104146 193159510 /nfs/dbraw/zinc/15/95/10/193159510.db2.gz HFMRZNCTOGVBBB-UHFFFAOYSA-N 1 2 319.232 2.903 20 10 DFCDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000092104146 193159512 /nfs/dbraw/zinc/15/95/12/193159512.db2.gz HFMRZNCTOGVBBB-UHFFFAOYSA-N 1 2 319.232 2.903 20 10 DFCDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C(=O)NC(C)(C)C ZINC000187675407 296150379 /nfs/dbraw/zinc/15/03/79/296150379.db2.gz WRAPQLVDRXNQCV-DTWKUNHWSA-N 1 2 300.349 2.624 20 10 DFCDLO C[N@H+](Cc1cccc(F)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000272256659 130013551 /nfs/dbraw/zinc/01/35/51/130013551.db2.gz JJXRGKRREOWHAU-MRXNPFEDSA-N 1 2 314.360 2.769 20 10 DFCDLO C[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000272256659 130013553 /nfs/dbraw/zinc/01/35/53/130013553.db2.gz JJXRGKRREOWHAU-MRXNPFEDSA-N 1 2 314.360 2.769 20 10 DFCDLO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000273398379 130117464 /nfs/dbraw/zinc/11/74/64/130117464.db2.gz MMXWGZQLQHDMSD-YVEFUNNKSA-N 1 2 316.357 2.993 20 10 DFCDLO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273574666 130139273 /nfs/dbraw/zinc/13/92/73/130139273.db2.gz LNBUPYQKPUHSTP-BMIGLBTASA-N 1 2 322.386 2.920 20 10 DFCDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2nnc(C)s2)c1O ZINC000273594947 130141306 /nfs/dbraw/zinc/14/13/06/130141306.db2.gz KAFBEBGSUKTZPV-SSDOTTSWSA-N 1 2 309.366 2.745 20 10 DFCDLO COc1ccc([C@H](C[NH+](C)C)NCc2cc(F)ccc2O)cc1 ZINC000284908369 131121334 /nfs/dbraw/zinc/12/13/34/131121334.db2.gz GDNDGWYNGUKGKK-KRWDZBQOSA-N 1 2 318.392 2.932 20 10 DFCDLO Cn1c[nH+]c(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1 ZINC000669818902 543996961 /nfs/dbraw/zinc/99/69/61/543996961.db2.gz DXLTUVQFMDNCMY-POHAHGRESA-N 1 2 312.760 2.728 20 10 DFCDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000281289889 426710050 /nfs/dbraw/zinc/71/00/50/426710050.db2.gz JEQWZGSBJNBALR-JTQLQIEISA-N 1 2 311.353 2.507 20 10 DFCDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000281289889 426710056 /nfs/dbraw/zinc/71/00/56/426710056.db2.gz JEQWZGSBJNBALR-JTQLQIEISA-N 1 2 311.353 2.507 20 10 DFCDLO COc1ccc(O)c(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)c1 ZINC000290368241 426751855 /nfs/dbraw/zinc/75/18/55/426751855.db2.gz HGJYHJOMTNIXQX-QGZVFWFLSA-N 1 2 318.392 2.932 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248877448 427055603 /nfs/dbraw/zinc/05/56/03/427055603.db2.gz OGPNBQYAFKNPFL-ZIAGYGMSSA-N 1 2 315.772 2.565 20 10 DFCDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248877448 427055611 /nfs/dbraw/zinc/05/56/11/427055611.db2.gz OGPNBQYAFKNPFL-ZIAGYGMSSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000277709086 427292233 /nfs/dbraw/zinc/29/22/33/427292233.db2.gz INPOAQRMGHURDV-SKDRFNHKSA-N 1 2 300.196 2.669 20 10 DFCDLO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc(Cl)c1O ZINC000286948215 427549337 /nfs/dbraw/zinc/54/93/37/427549337.db2.gz HGOBCQYZYMKWGP-GFCCVEGCSA-N 1 2 317.838 2.664 20 10 DFCDLO CN(C)c1ccc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)cc1 ZINC000294738547 427647713 /nfs/dbraw/zinc/64/77/13/427647713.db2.gz DVZANFHFQWGAMP-UHFFFAOYSA-N 1 2 310.323 2.851 20 10 DFCDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000373493049 428591214 /nfs/dbraw/zinc/59/12/14/428591214.db2.gz GYZFOJKWPWWJFE-CJNGLKHVSA-N 1 2 311.809 2.816 20 10 DFCDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000373493049 428591220 /nfs/dbraw/zinc/59/12/20/428591220.db2.gz GYZFOJKWPWWJFE-CJNGLKHVSA-N 1 2 311.809 2.816 20 10 DFCDLO Cc1c[nH+]ccc1NC(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373315329 428548076 /nfs/dbraw/zinc/54/80/76/428548076.db2.gz DHCNRYXTGAZLAU-UHFFFAOYSA-N 1 2 322.412 2.809 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc(Br)cc21 ZINC000492869141 429633607 /nfs/dbraw/zinc/63/36/07/429633607.db2.gz UJRNFAPDPQKOFC-ARJAWSKDSA-N 1 2 318.174 2.775 20 10 DFCDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000367474336 429656325 /nfs/dbraw/zinc/65/63/25/429656325.db2.gz FHAKXGQMMLAEHU-GFCCVEGCSA-N 1 2 317.345 2.540 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C2CC2)c1O ZINC000090009273 278244033 /nfs/dbraw/zinc/24/40/33/278244033.db2.gz VHRPDQMDWLYNCW-HNNXBMFYSA-N 1 2 309.793 2.859 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C2CC2)c1O ZINC000090009273 278244034 /nfs/dbraw/zinc/24/40/34/278244034.db2.gz VHRPDQMDWLYNCW-HNNXBMFYSA-N 1 2 309.793 2.859 20 10 DFCDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CCOC[C@@H]32)cc1F ZINC000366491954 279169833 /nfs/dbraw/zinc/16/98/33/279169833.db2.gz STIBOKXTPZUCAR-ZWKOTPCHSA-N 1 2 322.424 2.662 20 10 DFCDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3CCOC[C@@H]32)cc1F ZINC000366491954 279169838 /nfs/dbraw/zinc/16/98/38/279169838.db2.gz STIBOKXTPZUCAR-ZWKOTPCHSA-N 1 2 322.424 2.662 20 10 DFCDLO COC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)[C@H]1CCCO1 ZINC000278849633 293166010 /nfs/dbraw/zinc/16/60/10/293166010.db2.gz QHIHAWKUKDCGLG-JIMOISOXSA-N 1 2 301.333 2.515 20 10 DFCDLO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000273565983 301808104 /nfs/dbraw/zinc/80/81/04/301808104.db2.gz JMLODEMJUQWJEE-QMTHXVAHSA-N 1 2 306.318 2.586 20 10 DFCDLO C[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cc([N+](=O)[O-])ccc1O ZINC000273462045 334047272 /nfs/dbraw/zinc/04/72/72/334047272.db2.gz CTSXNVGWYQSUSQ-BONVTDFDSA-N 1 2 322.386 2.920 20 10 DFCDLO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000293704974 334201044 /nfs/dbraw/zinc/20/10/44/334201044.db2.gz MKVJQIIGSWFVCI-GHMZBOCLSA-N 1 2 314.376 2.873 20 10 DFCDLO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cccc(Cl)c1O ZINC000367910916 336832223 /nfs/dbraw/zinc/83/22/23/336832223.db2.gz MALFYEYJLBRGFU-BBRMVZONSA-N 1 2 324.852 2.950 20 10 DFCDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000375470990 337011820 /nfs/dbraw/zinc/01/18/20/337011820.db2.gz RNTRCJSFTLHFSN-UONOGXRCSA-N 1 2 309.793 2.616 20 10 DFCDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000375470990 337011821 /nfs/dbraw/zinc/01/18/21/337011821.db2.gz RNTRCJSFTLHFSN-UONOGXRCSA-N 1 2 309.793 2.616 20 10 DFCDLO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000375847200 337021177 /nfs/dbraw/zinc/02/11/77/337021177.db2.gz LHRLDGJMSREXLQ-HZPDHXFCSA-N 1 2 304.434 2.850 20 10 DFCDLO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000375847200 337021178 /nfs/dbraw/zinc/02/11/78/337021178.db2.gz LHRLDGJMSREXLQ-HZPDHXFCSA-N 1 2 304.434 2.850 20 10 DFCDLO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000375847199 337021200 /nfs/dbraw/zinc/02/12/00/337021200.db2.gz LHRLDGJMSREXLQ-HOTGVXAUSA-N 1 2 304.434 2.850 20 10 DFCDLO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000375847199 337021201 /nfs/dbraw/zinc/02/12/01/337021201.db2.gz LHRLDGJMSREXLQ-HOTGVXAUSA-N 1 2 304.434 2.850 20 10 DFCDLO Cn1c[nH+]c2c1CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC000376203499 337029418 /nfs/dbraw/zinc/02/94/18/337029418.db2.gz ONSFQOBTYKBFEV-UHFFFAOYSA-N 1 2 312.200 2.991 20 10 DFCDLO CCN(C)C(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000376277873 337030457 /nfs/dbraw/zinc/03/04/57/337030457.db2.gz HKIWWMQBPHXBIB-UHFFFAOYSA-N 1 2 305.422 2.668 20 10 DFCDLO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000378099600 337066451 /nfs/dbraw/zinc/06/64/51/337066451.db2.gz DYBFPHAGENJAGE-GFCCVEGCSA-N 1 2 322.206 2.525 20 10 DFCDLO CN1Cc2ccccc2[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2O)C1 ZINC000378266343 337069042 /nfs/dbraw/zinc/06/90/42/337069042.db2.gz ALOIZFULSPUJDO-INIZCTEOSA-N 1 2 313.357 2.577 20 10 DFCDLO Cc1cccc(C[N@@H+]2CCn3c(C(C)C)nnc3[C@H]2C)c1O ZINC000188466839 337273557 /nfs/dbraw/zinc/27/35/57/337273557.db2.gz GIFRZKYMDSKQSQ-CYBMUJFWSA-N 1 2 300.406 2.992 20 10 DFCDLO Cc1cccc(C[N@H+]2CCn3c(C(C)C)nnc3[C@H]2C)c1O ZINC000188466839 337273558 /nfs/dbraw/zinc/27/35/58/337273558.db2.gz GIFRZKYMDSKQSQ-CYBMUJFWSA-N 1 2 300.406 2.992 20 10 DFCDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cccc(OCC)c1O)C1CC1 ZINC000191710586 521010910 /nfs/dbraw/zinc/01/09/10/521010910.db2.gz SPBMMVVRRGWFRH-GFCCVEGCSA-N 1 2 307.390 2.707 20 10 DFCDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cccc(OCC)c1O)C1CC1 ZINC000191710586 521010918 /nfs/dbraw/zinc/01/09/18/521010918.db2.gz SPBMMVVRRGWFRH-GFCCVEGCSA-N 1 2 307.390 2.707 20 10 DFCDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000191674880 523999096 /nfs/dbraw/zinc/99/90/96/523999096.db2.gz LJURSMHPGBNUJG-SCDSUCTJSA-N 1 2 309.793 2.819 20 10 DFCDLO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000191674880 523999100 /nfs/dbraw/zinc/99/91/00/523999100.db2.gz LJURSMHPGBNUJG-SCDSUCTJSA-N 1 2 309.793 2.819 20 10 DFCDLO Oc1cccc(Cl)c1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000264945694 526363618 /nfs/dbraw/zinc/36/36/18/526363618.db2.gz IOSKJEMKRJNXJT-UHFFFAOYSA-N 1 2 324.852 2.780 20 10 DFCDLO Cc1nnc2n1CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000365144994 526417398 /nfs/dbraw/zinc/41/73/98/526417398.db2.gz HOGMGNWLQPZSCY-LLVKDONJSA-N 1 2 310.760 2.709 20 10 DFCDLO Cc1nc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000161802551 526841294 /nfs/dbraw/zinc/84/12/94/526841294.db2.gz RDFOPYMTGRIIHQ-UHFFFAOYSA-N 1 2 317.458 2.920 20 10 DFCDLO Cc1nc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000161802551 526841304 /nfs/dbraw/zinc/84/13/04/526841304.db2.gz RDFOPYMTGRIIHQ-UHFFFAOYSA-N 1 2 317.458 2.920 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1O ZINC000090009272 185276945 /nfs/dbraw/zinc/27/69/45/185276945.db2.gz VHRPDQMDWLYNCW-OAHLLOKOSA-N 1 2 309.793 2.859 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C2CC2)c1O ZINC000090009272 185276946 /nfs/dbraw/zinc/27/69/46/185276946.db2.gz VHRPDQMDWLYNCW-OAHLLOKOSA-N 1 2 309.793 2.859 20 10 DFCDLO COc1ccc(N2CCN(c3cc[nH+]c4ccncc43)CC2)cc1 ZINC000085652582 398416620 /nfs/dbraw/zinc/41/66/20/398416620.db2.gz NZCCKGCYLYIZCH-UHFFFAOYSA-N 1 2 320.396 2.965 20 10 DFCDLO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O)C(=O)N(C)C ZINC000189009828 299345437 /nfs/dbraw/zinc/34/54/37/299345437.db2.gz SPJLCPKZIOUZHW-YUMQZZPRSA-N 1 2 305.205 2.826 20 10 DFCDLO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1O ZINC000273406697 299383913 /nfs/dbraw/zinc/38/39/13/299383913.db2.gz ONOZPHIPYMEICZ-IINYFYTJSA-N 1 2 316.361 2.762 20 10 DFCDLO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(F)c(F)c1O ZINC000281020928 296120159 /nfs/dbraw/zinc/12/01/59/296120159.db2.gz MENWSBIVFOHCHV-YBYGRFCBSA-N 1 2 303.374 2.622 20 10 DFCDLO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(F)c(F)c1O ZINC000187781705 296126095 /nfs/dbraw/zinc/12/60/95/296126095.db2.gz PEKFMUNAJGYQTQ-SECBINFHSA-N 1 2 321.389 2.534 20 10 DFCDLO CC[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000180250068 285105489 /nfs/dbraw/zinc/10/54/89/285105489.db2.gz UEDVRIAHSKYBAW-NSHDSACASA-N 1 2 319.854 2.691 20 10 DFCDLO CC[N@@H+](Cc1cccc(Cl)c1O)[C@@H](C)CS(=O)(=O)CC ZINC000180250068 285105492 /nfs/dbraw/zinc/10/54/92/285105492.db2.gz UEDVRIAHSKYBAW-NSHDSACASA-N 1 2 319.854 2.691 20 10 DFCDLO C[C@H](N1CC[NH+](Cc2cccc(F)c2O)CC1)C(F)(F)F ZINC000272236734 130010368 /nfs/dbraw/zinc/01/03/68/130010368.db2.gz ACROZLQWNFLHGY-JTQLQIEISA-N 1 2 306.303 2.600 20 10 DFCDLO Cn1cc(C[N@H+](C)Cc2cccc(F)c2O)c(C(F)(F)F)n1 ZINC000272371384 130024236 /nfs/dbraw/zinc/02/42/36/130024236.db2.gz GSFGAAZIIZGUFO-UHFFFAOYSA-N 1 2 317.286 2.916 20 10 DFCDLO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1O ZINC000273303024 130105091 /nfs/dbraw/zinc/10/50/91/130105091.db2.gz BZLUUZDONBNGSC-SNVBAGLBSA-N 1 2 316.313 2.880 20 10 DFCDLO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cc([N+](=O)[O-])ccc1O ZINC000273574673 130138767 /nfs/dbraw/zinc/13/87/67/130138767.db2.gz LNBUPYQKPUHSTP-ZUZCIYMTSA-N 1 2 322.386 2.920 20 10 DFCDLO CCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(=O)OC(C)(C)C ZINC000274028278 130199021 /nfs/dbraw/zinc/19/90/21/130199021.db2.gz ALPCYDNHWYNOOZ-GFCCVEGCSA-N 1 2 323.389 2.721 20 10 DFCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nnc(C)s2)c1 ZINC000274197358 130215218 /nfs/dbraw/zinc/21/52/18/130215218.db2.gz KWIHILGIHZWRFX-IUCAKERBSA-N 1 2 321.402 2.751 20 10 DFCDLO Cn1cncc1[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CCO1 ZINC000275688949 130364300 /nfs/dbraw/zinc/36/43/00/130364300.db2.gz WWKZFDYNABPPKU-DOMZBBRYSA-N 1 2 321.808 2.789 20 10 DFCDLO CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc(Cl)c1O ZINC000287047337 131261763 /nfs/dbraw/zinc/26/17/63/131261763.db2.gz MQBFVORUAXOJRY-HNNXBMFYSA-N 1 2 324.852 2.951 20 10 DFCDLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000287553160 131286819 /nfs/dbraw/zinc/28/68/19/131286819.db2.gz PBBFQTVLMKTJRJ-LLVKDONJSA-N 1 2 315.373 2.862 20 10 DFCDLO Cc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)n1-c1ccccn1 ZINC000299000046 132084812 /nfs/dbraw/zinc/08/48/12/132084812.db2.gz JSJXKYQOTYGLMP-ZDUSSCGKSA-N 1 2 323.400 2.504 20 10 DFCDLO C[N@@H+]1CCc2ncnc(NCc3ccc(N4CCCC4)cc3)c2C1 ZINC000299634949 132114376 /nfs/dbraw/zinc/11/43/76/132114376.db2.gz UKZGPYVCQGTXQK-UHFFFAOYSA-N 1 2 323.444 2.677 20 10 DFCDLO C[N@H+]1CCc2ncnc(NCc3ccc(N4CCCC4)cc3)c2C1 ZINC000299634949 132114378 /nfs/dbraw/zinc/11/43/78/132114378.db2.gz UKZGPYVCQGTXQK-UHFFFAOYSA-N 1 2 323.444 2.677 20 10 DFCDLO Nc1[nH+]cnc(NCc2ccc(N3CC=CC3)cc2)c1Cl ZINC000302917478 543049027 /nfs/dbraw/zinc/04/90/27/543049027.db2.gz WYUQXTKEFUBUNV-UHFFFAOYSA-N 1 2 301.781 2.701 20 10 DFCDLO Nc1nc[nH+]c(NCc2ccc(N3CC=CC3)cc2)c1Cl ZINC000302917478 543049030 /nfs/dbraw/zinc/04/90/30/543049030.db2.gz WYUQXTKEFUBUNV-UHFFFAOYSA-N 1 2 301.781 2.701 20 10 DFCDLO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Cl)cc(Cl)c1O ZINC000287870370 286931129 /nfs/dbraw/zinc/93/11/29/286931129.db2.gz XWQBPYIPPKUCRX-JOYOIKCWSA-N 1 2 317.216 2.970 20 10 DFCDLO C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000282491440 287068614 /nfs/dbraw/zinc/06/86/14/287068614.db2.gz RAWXMNOCVHDMJK-YGRLFVJLSA-N 1 2 316.361 2.762 20 10 DFCDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000493835698 299837974 /nfs/dbraw/zinc/83/79/74/299837974.db2.gz KCSIKGZIYWEWBW-CDNLZTBQSA-N 1 2 308.385 2.829 20 10 DFCDLO Cc1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000112298533 426070537 /nfs/dbraw/zinc/07/05/37/426070537.db2.gz SJAAMRGXLJYPIZ-QPJJXVBHSA-N 1 2 323.396 2.879 20 10 DFCDLO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[NH+](C)CC1 ZINC000077293883 426126478 /nfs/dbraw/zinc/12/64/78/426126478.db2.gz BEBYBURVQODLPB-UHFFFAOYSA-N 1 2 303.431 2.543 20 10 DFCDLO O=C1OCC[C@@H]1CC[N@@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000120232494 426308180 /nfs/dbraw/zinc/30/81/80/426308180.db2.gz FDXBBUOVURRFQQ-NSHDSACASA-N 1 2 311.328 2.994 20 10 DFCDLO O=C1OCC[C@@H]1CC[N@H+]1CCCc2cc(OC(F)F)ccc21 ZINC000120232494 426308183 /nfs/dbraw/zinc/30/81/83/426308183.db2.gz FDXBBUOVURRFQQ-NSHDSACASA-N 1 2 311.328 2.994 20 10 DFCDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000121632951 426351866 /nfs/dbraw/zinc/35/18/66/426351866.db2.gz OZMICNWKHCCGRV-UHFFFAOYSA-N 1 2 302.353 2.917 20 10 DFCDLO CCc1nnc([C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCO2)o1 ZINC000280429525 426574146 /nfs/dbraw/zinc/57/41/46/426574146.db2.gz JJFAYCMFSFIRMT-ZDUSSCGKSA-N 1 2 323.780 2.565 20 10 DFCDLO CCc1nnc([C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCO2)o1 ZINC000280429525 426574150 /nfs/dbraw/zinc/57/41/50/426574150.db2.gz JJFAYCMFSFIRMT-ZDUSSCGKSA-N 1 2 323.780 2.565 20 10 DFCDLO Cc1c([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cnn1C ZINC000273391240 426655958 /nfs/dbraw/zinc/65/59/58/426655958.db2.gz KVEITPDCZLYSMB-NXEZZACHSA-N 1 2 304.350 2.754 20 10 DFCDLO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187753232 426690568 /nfs/dbraw/zinc/69/05/68/426690568.db2.gz ZXASUYAZMCRIPF-DCAQKATOSA-N 1 2 301.333 2.515 20 10 DFCDLO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000282043779 426820047 /nfs/dbraw/zinc/82/00/47/426820047.db2.gz ASQHMBWSUKQEKG-SFHVURJKSA-N 1 2 308.230 2.700 20 10 DFCDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cccc(Cl)c2O)no1 ZINC000290821395 426847727 /nfs/dbraw/zinc/84/77/27/426847727.db2.gz GVMFSSLWLZIOQZ-SECBINFHSA-N 1 2 311.769 2.816 20 10 DFCDLO COc1ccc(O)c(C[NH2+][C@H](C)c2noc(COC(C)C)n2)c1 ZINC000290938465 426871242 /nfs/dbraw/zinc/87/12/42/426871242.db2.gz PPUCFVUWAPIXOL-LLVKDONJSA-N 1 2 321.377 2.560 20 10 DFCDLO COC(=O)c1cnc(SCc2cc(OC)cc(C)[nH+]2)s1 ZINC000295397827 426941031 /nfs/dbraw/zinc/94/10/31/426941031.db2.gz VYHTURLTKRTPNL-UHFFFAOYSA-N 1 2 310.400 2.934 20 10 DFCDLO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc(F)c(F)c1O ZINC000276947748 427129730 /nfs/dbraw/zinc/12/97/30/427129730.db2.gz QIWNIGLRUCEGOO-BONVTDFDSA-N 1 2 316.417 2.758 20 10 DFCDLO COc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000292704288 427196763 /nfs/dbraw/zinc/19/67/63/427196763.db2.gz CQDFEBQPBXBEGG-GFCCVEGCSA-N 1 2 319.323 2.943 20 10 DFCDLO COc1cccc(C[N@H+]2C[C@H](C(F)(F)F)OC(C)(C)C2)c1O ZINC000292704288 427196773 /nfs/dbraw/zinc/19/67/73/427196773.db2.gz CQDFEBQPBXBEGG-GFCCVEGCSA-N 1 2 319.323 2.943 20 10 DFCDLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2O)[nH]1 ZINC000277511726 427226294 /nfs/dbraw/zinc/22/62/94/427226294.db2.gz WLXDSULEEUAGSY-NXEZZACHSA-N 1 2 319.365 2.783 20 10 DFCDLO Cc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc[nH+]1 ZINC000183279160 427238147 /nfs/dbraw/zinc/23/81/47/427238147.db2.gz OLISEQWPUKSWFZ-UHFFFAOYSA-N 1 2 312.373 2.887 20 10 DFCDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccn1)c1cccc(Cl)c1O ZINC000297319175 427400071 /nfs/dbraw/zinc/40/00/71/427400071.db2.gz NFQGKOKENIRHMJ-TZMCWYRMSA-N 1 2 319.792 2.708 20 10 DFCDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nnc2n1CCC2 ZINC000293716342 427413978 /nfs/dbraw/zinc/41/39/78/427413978.db2.gz VFWQANOLSGBUCP-MRVPVSSYSA-N 1 2 310.760 2.573 20 10 DFCDLO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1O ZINC000184867145 427554328 /nfs/dbraw/zinc/55/43/28/427554328.db2.gz GLGJCTSFDSKURM-QMMMGPOBSA-N 1 2 317.216 2.876 20 10 DFCDLO CC(C)C(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271734291 427584075 /nfs/dbraw/zinc/58/40/75/427584075.db2.gz OAYZEHMPZGAEEO-UHFFFAOYSA-N 1 2 310.825 2.782 20 10 DFCDLO COCCN(C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185315265 427634506 /nfs/dbraw/zinc/63/45/06/427634506.db2.gz IQLFZZIDWUPNTN-JTQLQIEISA-N 1 2 321.248 2.928 20 10 DFCDLO C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000294697179 427648632 /nfs/dbraw/zinc/64/86/32/427648632.db2.gz NWWKFEJDQFJNRZ-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000294697179 427648634 /nfs/dbraw/zinc/64/86/34/427648634.db2.gz NWWKFEJDQFJNRZ-MEBBXXQBSA-N 1 2 315.772 2.565 20 10 DFCDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)c(Cl)cc1O ZINC000193066272 427660496 /nfs/dbraw/zinc/66/04/96/427660496.db2.gz PRKQYHFYSYDRBV-SSDOTTSWSA-N 1 2 301.177 2.678 20 10 DFCDLO COc1ccc([N@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H](C)C2CC2)cc1 ZINC000280020817 427727547 /nfs/dbraw/zinc/72/75/47/427727547.db2.gz MMPALCLZPCRJPW-UONOGXRCSA-N 1 2 323.458 2.735 20 10 DFCDLO COc1ccc([N@@H+](C[C@H]2CCS(=O)(=O)C2)[C@@H](C)C2CC2)cc1 ZINC000280020817 427727551 /nfs/dbraw/zinc/72/75/51/427727551.db2.gz MMPALCLZPCRJPW-UONOGXRCSA-N 1 2 323.458 2.735 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)NCC3CC3)CC2)cc1 ZINC000363184807 428876865 /nfs/dbraw/zinc/87/68/65/428876865.db2.gz IILNGXAKFVZGLR-UHFFFAOYSA-N 1 2 317.433 2.715 20 10 DFCDLO CCCOc1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c(O)c1 ZINC000363935476 429144216 /nfs/dbraw/zinc/14/42/16/429144216.db2.gz BGTRVLKDJFFYEI-AWEZNQCLSA-N 1 2 301.390 2.551 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000364399887 429197413 /nfs/dbraw/zinc/19/74/13/429197413.db2.gz MQTNXPFXXFHOBK-HNNXBMFYSA-N 1 2 309.793 2.859 20 10 DFCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000364399887 429197418 /nfs/dbraw/zinc/19/74/18/429197418.db2.gz MQTNXPFXXFHOBK-HNNXBMFYSA-N 1 2 309.793 2.859 20 10 DFCDLO CN1CCc2cc(CN[C@@H](c3[nH]cc[nH+]3)c3ccccn3)ccc21 ZINC000365486409 429327728 /nfs/dbraw/zinc/32/77/28/429327728.db2.gz BSLCBJPWABFTGT-GOSISDBHSA-N 1 2 319.412 2.676 20 10 DFCDLO CN1CCc2cc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccn3)ccc21 ZINC000365486409 429327734 /nfs/dbraw/zinc/32/77/34/429327734.db2.gz BSLCBJPWABFTGT-GOSISDBHSA-N 1 2 319.412 2.676 20 10 DFCDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000492774635 429612699 /nfs/dbraw/zinc/61/26/99/429612699.db2.gz XENXMZJDSPNIDM-WAYWQWQTSA-N 1 2 311.263 2.985 20 10 DFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000367535702 429668157 /nfs/dbraw/zinc/66/81/57/429668157.db2.gz KULAJMSHEWFNGQ-KRWDZBQOSA-N 1 2 314.433 2.666 20 10 DFCDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000367535702 429668160 /nfs/dbraw/zinc/66/81/60/429668160.db2.gz KULAJMSHEWFNGQ-KRWDZBQOSA-N 1 2 314.433 2.666 20 10 DFCDLO Cc1c2ccccc2n(C)c1CNc1nc(N)c2ccccc2[nH+]1 ZINC000530429210 430114186 /nfs/dbraw/zinc/11/41/86/430114186.db2.gz LAVAEUIVMGLJDA-UHFFFAOYSA-N 1 2 317.396 3.046 20 10 DFCDLO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000152475273 277526281 /nfs/dbraw/zinc/52/62/81/277526281.db2.gz FKBCLIYUNDVMAZ-RDDDGLTNSA-N 1 2 310.246 2.901 20 10 DFCDLO CC[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc(Cl)c1O ZINC000287199775 288038631 /nfs/dbraw/zinc/03/86/31/288038631.db2.gz WGQKIMASWQYSDF-BUXKBTBVSA-N 1 2 301.839 2.997 20 10 DFCDLO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(Cl)c1O ZINC000287892070 288047561 /nfs/dbraw/zinc/04/75/61/288047561.db2.gz ZAOKJJJTKYDHER-WFASDCNBSA-N 1 2 312.841 2.807 20 10 DFCDLO CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc(Cl)c1O ZINC000287876116 288064562 /nfs/dbraw/zinc/06/45/62/288064562.db2.gz YDQIRIHUQYIKTN-YGRLFVJLSA-N 1 2 308.809 2.850 20 10 DFCDLO CC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc(Cl)c1O ZINC000287787189 288091625 /nfs/dbraw/zinc/09/16/25/288091625.db2.gz SLVBZVJSUHLXQI-GWCFXTLKSA-N 1 2 306.797 2.693 20 10 DFCDLO Cc1ccncc1C1=CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000365364871 278990475 /nfs/dbraw/zinc/99/04/75/278990475.db2.gz OBCUHHQTFFQHQP-UHFFFAOYSA-N 1 2 301.781 2.709 20 10 DFCDLO COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2O)c(OC)n1 ZINC000290268637 295135054 /nfs/dbraw/zinc/13/50/54/295135054.db2.gz VWYODDMQQIXART-SECBINFHSA-N 1 2 324.327 2.933 20 10 DFCDLO OC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCC1(F)F ZINC000293823714 335117878 /nfs/dbraw/zinc/11/78/78/335117878.db2.gz FZDCVVVMCWHVPF-VIFPVBQESA-N 1 2 309.715 2.634 20 10 DFCDLO OC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCC1(F)F ZINC000293823714 335117881 /nfs/dbraw/zinc/11/78/81/335117881.db2.gz FZDCVVVMCWHVPF-VIFPVBQESA-N 1 2 309.715 2.634 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000279243811 334107076 /nfs/dbraw/zinc/10/70/76/334107076.db2.gz GHQDZHPPSHHPPX-HWPZZCPQSA-N 1 2 307.365 2.733 20 10 DFCDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000279243811 334107078 /nfs/dbraw/zinc/10/70/78/334107078.db2.gz GHQDZHPPSHHPPX-HWPZZCPQSA-N 1 2 307.365 2.733 20 10 DFCDLO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc(F)c(F)c1O ZINC000375557739 337013415 /nfs/dbraw/zinc/01/34/15/337013415.db2.gz NPRICHBRXXDKEQ-NSHDSACASA-N 1 2 319.351 2.851 20 10 DFCDLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000378351764 337070715 /nfs/dbraw/zinc/07/07/15/337070715.db2.gz SZPMNXLXLDTVDN-CYBMUJFWSA-N 1 2 303.362 2.819 20 10 DFCDLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2noc(C)n2)c1O ZINC000378351764 337070716 /nfs/dbraw/zinc/07/07/16/337070716.db2.gz SZPMNXLXLDTVDN-CYBMUJFWSA-N 1 2 303.362 2.819 20 10 DFCDLO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccc(Cl)c2O)C1(C)C ZINC000188904876 520450087 /nfs/dbraw/zinc/45/00/87/520450087.db2.gz RMMAGQPFWFFUQL-CZUORRHYSA-N 1 2 313.825 2.701 20 10 DFCDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151560 524014923 /nfs/dbraw/zinc/01/49/23/524014923.db2.gz HQBLEJZSGYURIC-AAEUAGOBSA-N 1 2 323.780 2.699 20 10 DFCDLO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000190151560 524014925 /nfs/dbraw/zinc/01/49/25/524014925.db2.gz HQBLEJZSGYURIC-AAEUAGOBSA-N 1 2 323.780 2.699 20 10 DFCDLO COc1ccc([NH+]2CCC(N(C)C(=O)CCSC)CC2)cc1 ZINC000363650258 524403126 /nfs/dbraw/zinc/40/31/26/524403126.db2.gz DESNECDOYNEBLQ-UHFFFAOYSA-N 1 2 322.474 2.876 20 10 DFCDLO C[C@@H]1C[NH+](Cc2cc(Br)ccc2O)C[C@@H](C)O1 ZINC000127034922 524984595 /nfs/dbraw/zinc/98/45/95/524984595.db2.gz BPNAYKHTOSATKU-NXEZZACHSA-N 1 2 300.196 2.764 20 10 DFCDLO