smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccccc21 ZINC000000000698 563739729 /nfs/dbraw/zinc/73/97/29/563739729.db2.gz PURCCNBPWTXDHB-MRXNPFEDSA-N 1 0 324.493 5.164 50 0 DKAARO CC[NH+](CC)[C@@H](C)CN1c2ccccc2Sc2ccccc21 ZINC000000004227 535638371 /nfs/dbraw/zinc/63/83/71/535638371.db2.gz CDOZDBSBBXSXLB-HNNXBMFYSA-N 1 0 312.482 5.020 50 0 world DKAARO C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000000004677 563840526 /nfs/dbraw/zinc/84/05/26/563840526.db2.gz VGKDLMBJGBXTGI-SJKOYZFVSA-N 1 0 306.236 5.180 50 0 in-vitro DKAARO CC[NH+](CC)[C@H](C)CN1c2ccccc2Sc2ccccc21 ZINC000000056651 535666943 /nfs/dbraw/zinc/66/69/43/535666943.db2.gz CDOZDBSBBXSXLB-OAHLLOKOSA-N 1 0 312.482 5.020 50 0 world DKAARO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000000071830 180683985 /nfs/dbraw/zinc/68/39/85/180683985.db2.gz WKSBUWNGVPICHR-UHFFFAOYSA-N 1 0 312.800 5.339 50 0 DKAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccccc3OCC)c2c1 ZINC000000071861 563522745 /nfs/dbraw/zinc/52/27/45/563522745.db2.gz RUVZWLMULPYKEW-UHFFFAOYSA-N 1 0 322.408 5.084 50 0 DKAARO CCOc1ccc(Nc2cc(C)[nH+]c3ccc(OCC)cc23)cc1 ZINC000000071864 563522751 /nfs/dbraw/zinc/52/27/51/563522751.db2.gz LEFCJIJYHKFAKQ-UHFFFAOYSA-N 1 0 322.408 5.084 50 0 DKAARO CCOc1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000000071978 563522521 /nfs/dbraw/zinc/52/25/21/563522521.db2.gz HVIHOEBUMZAAMM-UHFFFAOYSA-N 1 0 306.409 5.302 50 0 DKAARO Cc1ccc2[nH+]c(C)cc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000000077002 563523351 /nfs/dbraw/zinc/52/33/51/563523351.db2.gz MGYMDXAUKBVLMO-UHFFFAOYSA-N 1 0 316.326 5.614 50 0 DKAARO COc1cccc2c(Nc3ccc(C)c(Cl)c3)cc(C)nc12 ZINC000000107225 563570353 /nfs/dbraw/zinc/57/03/53/563570353.db2.gz ZBAUYWIEJMOKKG-UHFFFAOYSA-N 1 0 312.800 5.257 50 0 DKAARO COc1cccc2c(Nc3cccc(Cl)c3C)cc(C)nc12 ZINC000000107230 563570271 /nfs/dbraw/zinc/57/02/71/563570271.db2.gz MNEUNGDJHWKHSV-UHFFFAOYSA-N 1 0 312.800 5.257 50 0 DKAARO Cc1cc(Nc2cccc(C(F)(F)F)c2)c2ccccc2[nH+]1 ZINC000000120686 563571032 /nfs/dbraw/zinc/57/10/32/563571032.db2.gz TVXUYBRNZRXMCQ-UHFFFAOYSA-N 1 0 302.299 5.306 50 0 DKAARO Cc1c(Cl)cccc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000000122864 563220562 /nfs/dbraw/zinc/22/05/62/563220562.db2.gz CTRFUZMDQARMJR-UHFFFAOYSA-N 1 0 308.812 5.429 50 0 DKAARO Cc1ccc2[nH+]c3c(c(Nc4ccc(C)c(Cl)c4)c2c1)CCC3 ZINC000000142576 563572463 /nfs/dbraw/zinc/57/24/63/563572463.db2.gz FVSXTHVMZAJGMU-UHFFFAOYSA-N 1 0 322.839 5.737 50 0 DKAARO CCOc1ccc(Nc2c3c([nH+]c4ccc(C)cc42)CCC3)cc1 ZINC000000142583 563223452 /nfs/dbraw/zinc/22/34/52/563223452.db2.gz DQWUWFGUNTVNAC-UHFFFAOYSA-N 1 0 318.420 5.174 50 0 DKAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000000143893 563572488 /nfs/dbraw/zinc/57/24/88/563572488.db2.gz NQZJTYHHBIAATO-UHFFFAOYSA-N 1 0 312.800 5.257 50 0 DKAARO Cc1cccc2c3c(c(C)[nH+]c12)CCN3c1ccc(Cl)cc1 ZINC000000159002 563225808 /nfs/dbraw/zinc/22/58/08/563225808.db2.gz PQBZAOHUIDOXPH-UHFFFAOYSA-N 1 0 308.812 5.199 50 0 DKAARO Cc1cc(Nc2ccc(OC(F)(F)F)cc2)c2ccccc2[nH+]1 ZINC000000171647 563227595 /nfs/dbraw/zinc/22/75/95/563227595.db2.gz LHRVEDPZODFKQJ-UHFFFAOYSA-N 1 0 318.298 5.185 50 0 DKAARO COc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1Cl ZINC000000211898 563613717 /nfs/dbraw/zinc/61/37/17/563613717.db2.gz ISNGWHVJGUDWHT-UHFFFAOYSA-N 1 0 324.811 5.129 50 0 DKAARO Clc1ccc2c(c1)sc[n+]2Cc1cccc2ccccc21 ZINC000000272793 180744549 /nfs/dbraw/zinc/74/45/49/180744549.db2.gz BZVCBIOYPNOYER-UHFFFAOYSA-N 1 0 310.829 5.044 50 0 DKAARO Cc1ccn2c(c1)[nH+]c(CC(C)C)c2NC(C)(C)CC(C)(C)C ZINC000000320679 563588188 /nfs/dbraw/zinc/58/81/88/563588188.db2.gz XSUZQROYQXYXEW-UHFFFAOYSA-N 1 0 315.505 5.468 50 0 DKAARO Cc1cccn2c(NC(C)(C)CC(C)(C)C)c(CC(C)C)[nH+]c12 ZINC000000320697 180759438 /nfs/dbraw/zinc/75/94/38/180759438.db2.gz GBJVMCHZIFKZBX-UHFFFAOYSA-N 1 0 315.505 5.468 50 0 DKAARO CCCc1[nH+]c2c(C)cccn2c1NC(C)(C)CC(C)(C)C ZINC000000320699 563587925 /nfs/dbraw/zinc/58/79/25/563587925.db2.gz CQNPFIKQTFZZEZ-UHFFFAOYSA-N 1 0 301.478 5.222 50 0 DKAARO Cc1ccc2[nH+]c(C(C)C)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000000320711 563588425 /nfs/dbraw/zinc/58/84/25/563588425.db2.gz VSWGEPAYKZEEEJ-UHFFFAOYSA-N 1 0 301.478 5.393 50 0 DKAARO CC[NH+](CC)[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000346393 563242584 /nfs/dbraw/zinc/24/25/84/563242584.db2.gz GGNVCJRUKKSYML-INIZCTEOSA-N 1 0 317.885 5.430 50 0 DKAARO C[NH+](C)CCC1=Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000347697 180763459 /nfs/dbraw/zinc/76/34/59/180763459.db2.gz UENAMFGFTZTLNQ-UHFFFAOYSA-N 1 0 315.869 5.297 50 0 DKAARO C[NH+](C)CCC[C@@H]1Sc2ccccc2Sc2ccccc21 ZINC000000347760 563243305 /nfs/dbraw/zinc/24/33/05/563243305.db2.gz MUBRJEKKJANJNX-INIZCTEOSA-N 1 0 315.507 5.326 50 0 DKAARO C[NH+](C)CCC[C@H]1Sc2ccccc2Sc2ccccc21 ZINC000000347761 563243273 /nfs/dbraw/zinc/24/32/73/563243273.db2.gz MUBRJEKKJANJNX-MRXNPFEDSA-N 1 0 315.507 5.326 50 0 DKAARO Cc1cc(Nc2cccc(C)c2C)c2c(N)cc(C)c(C)c2[nH+]1 ZINC000000348940 563589462 /nfs/dbraw/zinc/58/94/62/563589462.db2.gz RCNOUPZADGESIR-UHFFFAOYSA-N 1 0 305.425 5.103 50 0 DKAARO Cc1ccc(C)c(Nc2cc(C)[nH+]c3c(C)c(C)cc(N)c23)c1 ZINC000000348947 563243067 /nfs/dbraw/zinc/24/30/67/563243067.db2.gz CKHHRGJBRBGQJX-UHFFFAOYSA-N 1 0 305.425 5.103 50 0 DKAARO Cc1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)c(N)c23)c(C)c1 ZINC000000348948 563589349 /nfs/dbraw/zinc/58/93/49/563589349.db2.gz RUBIVDPPKYRENA-UHFFFAOYSA-N 1 0 305.425 5.103 50 0 DKAARO CC(C)N(C(C)C)[PH+](OC(C)(C)C)N(C(C)C)C(C)C ZINC000000396179 563250576 /nfs/dbraw/zinc/25/05/76/563250576.db2.gz PSFUFSJCFKUIIG-UHFFFAOYSA-N 1 0 304.459 5.266 50 0 DKAARO Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2ccccn21 ZINC000000426786 563612675 /nfs/dbraw/zinc/61/26/75/563612675.db2.gz GQMSWWQIJAUEMC-UHFFFAOYSA-N 1 0 319.433 5.423 50 0 DKAARO Cc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1F ZINC000000429734 563613276 /nfs/dbraw/zinc/61/32/76/563613276.db2.gz CFVMSNWISGFVLE-UHFFFAOYSA-N 1 0 306.384 5.305 50 0 DKAARO CCOc1ccccc1Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000000429748 563613350 /nfs/dbraw/zinc/61/33/50/563613350.db2.gz QSLPLJNLPANOSU-UHFFFAOYSA-N 1 0 318.420 5.256 50 0 DKAARO COc1ccc(Cl)cc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000000429779 563613396 /nfs/dbraw/zinc/61/33/96/563613396.db2.gz STBAPNSQSBFTJI-UHFFFAOYSA-N 1 0 324.811 5.129 50 0 DKAARO CSc1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000429785 563613218 /nfs/dbraw/zinc/61/32/18/563613218.db2.gz UBKPRTSYHGIIBE-UHFFFAOYSA-N 1 0 306.434 5.189 50 0 DKAARO COc1ccc(Cl)cc1Nc1cc(C)[nH+]c2ccc(C)cc12 ZINC000000459730 563448011 /nfs/dbraw/zinc/44/80/11/563448011.db2.gz XYKXQGLFATXWRS-UHFFFAOYSA-N 1 0 312.800 5.257 50 0 DKAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000000949074 563784533 /nfs/dbraw/zinc/78/45/33/563784533.db2.gz VXCJLIJJTXJFFY-UHFFFAOYSA-N 1 0 310.828 5.865 50 0 DKAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(C)c(Cl)c3)c2c1 ZINC000000949077 563784461 /nfs/dbraw/zinc/78/44/61/563784461.db2.gz ZIPVBKKUYLDEEC-UHFFFAOYSA-N 1 0 310.828 5.865 50 0 DKAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000000956953 563785334 /nfs/dbraw/zinc/78/53/34/563785334.db2.gz NSMUCVGGQFSZFU-LJQANCHMSA-N 1 0 310.466 5.113 50 0 DKAARO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000000956954 563785316 /nfs/dbraw/zinc/78/53/16/563785316.db2.gz NSMUCVGGQFSZFU-IBGZPJMESA-N 1 0 310.466 5.113 50 0 DKAARO CC1(C)C=Cc2c([nH+]c3ccccc3c2NCc2ccccc2)C1 ZINC000000977956 563274013 /nfs/dbraw/zinc/27/40/13/563274013.db2.gz CBZMISKYBRZYNJ-UHFFFAOYSA-N 1 0 314.432 5.442 50 0 DKAARO Cc1cc(Nc2ccc(Cl)cc2)c2c(N)c(C)cc(C)c2[nH+]1 ZINC000000980144 563785756 /nfs/dbraw/zinc/78/57/56/563785756.db2.gz MXULEEYTVGAHJS-UHFFFAOYSA-N 1 0 311.816 5.139 50 0 DKAARO C[C@@H]1c2ccccc2S[C@@H](CCC[NH+](C)C)c2ccccc21 ZINC000001009387 563786798 /nfs/dbraw/zinc/78/67/98/563786798.db2.gz QZJSTFQILYOCCT-YWZLYKJASA-N 1 0 311.494 5.327 50 0 DKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@@H](C)c1ccccc1 ZINC000001196157 563793803 /nfs/dbraw/zinc/79/38/03/563793803.db2.gz KCWLEYXMVGFASS-YWZLYKJASA-N 1 0 304.437 5.205 50 0 biogenic DKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@@H](C)c1ccccc1 ZINC000001196159 563793811 /nfs/dbraw/zinc/79/38/11/563793811.db2.gz KCWLEYXMVGFASS-MGPUTAFESA-N 1 0 304.437 5.205 50 0 biogenic DKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+][C@H](C)c1ccccc1 ZINC000001196161 563793927 /nfs/dbraw/zinc/79/39/27/563793927.db2.gz KCWLEYXMVGFASS-QRWLVFNGSA-N 1 0 304.437 5.205 50 0 DKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+][C@H](C)c1ccccc1 ZINC000001196163 563793888 /nfs/dbraw/zinc/79/38/88/563793888.db2.gz KCWLEYXMVGFASS-FOIQADDNSA-N 1 0 304.437 5.205 50 0 DKAARO CCn1c2ccccc2c2cc(C[N@H+](C)C3CCCCC3)ccc21 ZINC000001226461 563279943 /nfs/dbraw/zinc/27/99/43/563279943.db2.gz PQTRMKPUVIERPN-UHFFFAOYSA-N 1 0 320.480 5.579 50 0 DKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000001227982 563279967 /nfs/dbraw/zinc/27/99/67/563279967.db2.gz UEEBUAJMNRUEMM-MRXNPFEDSA-N 1 0 306.453 5.046 50 0 DKAARO CCn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000001227983 563279984 /nfs/dbraw/zinc/27/99/84/563279984.db2.gz UEEBUAJMNRUEMM-INIZCTEOSA-N 1 0 306.453 5.046 50 0 DKAARO CCn1c2ccccc2c2cc(C[NH+]3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000001229340 180850508 /nfs/dbraw/zinc/85/05/08/180850508.db2.gz OWFDFCVDGQSEPP-IRXDYDNUSA-N 1 0 320.480 5.292 50 0 DKAARO c1[nH]c2ccccc2c1CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000001229371 563633524 /nfs/dbraw/zinc/63/35/24/563633524.db2.gz VIRZUORMYSIWLM-UHFFFAOYSA-N 1 0 318.464 5.026 50 0 DKAARO CC1CC[NH+](Cc2c3ccccc3n(C)c2-c2ccccc2)CC1 ZINC000001237735 563808996 /nfs/dbraw/zinc/80/89/96/563808996.db2.gz LFBHACQGVVYZGA-UHFFFAOYSA-N 1 0 318.464 5.077 50 0 DKAARO Cc1ccc2[nH+]c3c(c(Nc4ccc(C)c(C)c4)c2c1)CCC3 ZINC000001237886 563809165 /nfs/dbraw/zinc/80/91/65/563809165.db2.gz LNKHGWFCSWRXFG-UHFFFAOYSA-N 1 0 302.421 5.392 50 0 aggregator DKAARO c1cc(C2CCCCC2)cc2c1n1c3c2CCCC[C@@H]3[NH2+]CC1 ZINC000001293446 563280613 /nfs/dbraw/zinc/28/06/13/563280613.db2.gz YWYLDQOXACQSKT-IBGZPJMESA-N 1 0 308.469 5.060 50 0 DKAARO c1cc(C2CCCCC2)cc2c1n1c3c2CCCC[C@H]3[NH2+]CC1 ZINC000001293447 563280760 /nfs/dbraw/zinc/28/07/60/563280760.db2.gz YWYLDQOXACQSKT-LJQANCHMSA-N 1 0 308.469 5.060 50 0 DKAARO C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001481844 563284073 /nfs/dbraw/zinc/28/40/73/563284073.db2.gz NMKSAYKQLCHXDK-LJQANCHMSA-N 1 0 315.460 5.559 50 0 world DKAARO C[N@@H+]1CCC[C@H](CC2c3ccccc3Sc3ccccc32)C1 ZINC000001481877 563284805 /nfs/dbraw/zinc/28/48/05/563284805.db2.gz MJFJKKXQDNNUJF-OAHLLOKOSA-N 1 0 309.478 5.015 50 0 world DKAARO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)c1cccc2ccccc21 ZINC000001494434 563284801 /nfs/dbraw/zinc/28/48/01/563284801.db2.gz JLPWXRZETODYFC-OAHLLOKOSA-N 1 0 300.405 5.172 50 0 in-vitro DKAARO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc21 ZINC000001530975 563284927 /nfs/dbraw/zinc/28/49/27/563284927.db2.gz ABJKWBDEJIDSJZ-UHFFFAOYSA-N 1 0 317.476 5.769 50 0 fda DKAARO C[n+]1ccc(/C=C/c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000001606120 563287560 /nfs/dbraw/zinc/28/75/60/563287560.db2.gz SWPUCIQTOSFBSW-SOFGYWHQSA-N 1 0 315.223 5.142 50 0 DKAARO c1ccc([C@@H](c2cccc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000001655730 563523442 /nfs/dbraw/zinc/52/34/42/563523442.db2.gz KOBMVVUMEZOXGX-QFIPXVFZSA-N 1 0 301.433 5.415 50 0 DKAARO C[N@@H+]1CCC[C@@H](CC2c3ccccc3Sc3ccccc32)C1 ZINC000001713960 563293079 /nfs/dbraw/zinc/29/30/79/563293079.db2.gz MJFJKKXQDNNUJF-HNNXBMFYSA-N 1 0 309.478 5.015 50 0 world DKAARO CC[NH+](CC)CCCCN1c2ccccc2CCc2ccccc21 ZINC000001784752 180896746 /nfs/dbraw/zinc/89/67/46/180896746.db2.gz BDJJFDYNIBMHLF-UHFFFAOYSA-N 1 0 322.496 5.045 50 0 DKAARO c1coc(C[NH2+]CCCCCCOc2cccc3ccccc32)c1 ZINC000001813917 563882093 /nfs/dbraw/zinc/88/20/93/563882093.db2.gz IXJNNVVEZDQRHG-UHFFFAOYSA-N 1 0 323.436 5.162 50 0 DKAARO CCCC[NH+](CCCC)Cc1cc2ccccc2c2c1COC2 ZINC000001819896 563296335 /nfs/dbraw/zinc/29/63/35/563296335.db2.gz FMFUDVPEMBYYDJ-UHFFFAOYSA-N 1 0 311.469 5.272 50 0 DKAARO CCCOc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1 ZINC000001824675 563881945 /nfs/dbraw/zinc/88/19/45/563881945.db2.gz JFXVSKAXMLHINL-UHFFFAOYSA-N 1 0 323.480 5.077 50 0 DKAARO COc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)C(C)C)cc1 ZINC000001836396 180897620 /nfs/dbraw/zinc/89/76/20/180897620.db2.gz FSRSEQHPNWNBKP-LAUBAEHRSA-N 1 0 311.469 5.176 50 0 DKAARO COc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)C(C)C)cc1 ZINC000001836397 180898212 /nfs/dbraw/zinc/89/82/12/180898212.db2.gz FSRSEQHPNWNBKP-UWJYYQICSA-N 1 0 311.469 5.176 50 0 DKAARO COc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)C(C)C)cc1 ZINC000001836398 563882364 /nfs/dbraw/zinc/88/23/64/563882364.db2.gz FSRSEQHPNWNBKP-DYESRHJHSA-N 1 0 311.469 5.176 50 0 DKAARO COc1ccc([C@@H](CC[NH2+][C@H](C)c2ccccc2)C(C)C)cc1 ZINC000001836399 563882332 /nfs/dbraw/zinc/88/23/32/563882332.db2.gz FSRSEQHPNWNBKP-UTKZUKDTSA-N 1 0 311.469 5.176 50 0 DKAARO C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000001853550 180898612 /nfs/dbraw/zinc/89/86/12/180898612.db2.gz VGKDLMBJGBXTGI-SJCJKPOMSA-N 1 0 306.236 5.180 50 0 fda DKAARO CC(=O)c1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000001860744 563882622 /nfs/dbraw/zinc/88/26/22/563882622.db2.gz LISOWNMDDONOPL-UHFFFAOYSA-N 1 0 316.404 5.060 50 0 DKAARO C[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000002019529 180906220 /nfs/dbraw/zinc/90/62/20/180906220.db2.gz NMKSAYKQLCHXDK-IBGZPJMESA-N 1 0 315.460 5.559 50 0 world DKAARO CC(C)(C)c1cc(C[NH+]2CCCCCC2)cc(C(C)(C)C)c1O ZINC000002023784 563298658 /nfs/dbraw/zinc/29/86/58/563298658.db2.gz LCPBHCJDIYPASC-UHFFFAOYSA-N 1 0 317.517 5.363 50 0 DKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccccc2)CCOC(C)(C)C1 ZINC000002111026 180910880 /nfs/dbraw/zinc/91/08/80/180910880.db2.gz UAIVMRDNRRREDM-OAQYLSRUSA-N 1 0 317.517 5.178 50 0 biogenic DKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccccc2)CCOC(C)(C)C1 ZINC000002111027 563300164 /nfs/dbraw/zinc/30/01/64/563300164.db2.gz UAIVMRDNRRREDM-NRFANRHFSA-N 1 0 317.517 5.178 50 0 biogenic DKAARO CC[C@@]1(C)C[C@@](CC[NH2+]Cc2ccco2)(CCC(C)C)CCO1 ZINC000002111525 563914237 /nfs/dbraw/zinc/91/42/37/563914237.db2.gz VHLPQWRVCDNNDT-VQTJNVASSA-N 1 0 321.505 5.161 50 0 biogenic DKAARO CC[C@]1(C)C[C@@](CC[NH2+]Cc2ccco2)(CCC(C)C)CCO1 ZINC000002111527 563914195 /nfs/dbraw/zinc/91/41/95/563914195.db2.gz VHLPQWRVCDNNDT-WOJBJXKFSA-N 1 0 321.505 5.161 50 0 biogenic DKAARO CC[C@@]1(C)C[C@](CC[NH2+]Cc2ccco2)(CCC(C)C)CCO1 ZINC000002111528 563914269 /nfs/dbraw/zinc/91/42/69/563914269.db2.gz VHLPQWRVCDNNDT-PMACEKPBSA-N 1 0 321.505 5.161 50 0 biogenic DKAARO CC[C@]1(C)C[C@](CC[NH2+]Cc2ccco2)(CCC(C)C)CCO1 ZINC000002111530 563914277 /nfs/dbraw/zinc/91/42/77/563914277.db2.gz VHLPQWRVCDNNDT-UXHICEINSA-N 1 0 321.505 5.161 50 0 biogenic DKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccco2)CCO[C@@H](C(C)C)C1 ZINC000002112124 563914216 /nfs/dbraw/zinc/91/42/16/563914216.db2.gz OWNGTDCHVSMLEV-WOJBJXKFSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccco2)CCO[C@@H](C(C)C)C1 ZINC000002112126 563914279 /nfs/dbraw/zinc/91/42/79/563914279.db2.gz OWNGTDCHVSMLEV-UXHICEINSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO CC(C)CC[C@@]1(CC[NH2+]Cc2ccco2)CCO[C@H](C(C)C)C1 ZINC000002112127 563914203 /nfs/dbraw/zinc/91/42/03/563914203.db2.gz OWNGTDCHVSMLEV-VQTJNVASSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO CC(C)CC[C@]1(CC[NH2+]Cc2ccco2)CCO[C@H](C(C)C)C1 ZINC000002112129 563914231 /nfs/dbraw/zinc/91/42/31/563914231.db2.gz OWNGTDCHVSMLEV-PMACEKPBSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO c1ccc([C@H](c2cccc3ccccc32)[NH+]2CCCCC2)cc1 ZINC000002160026 563606009 /nfs/dbraw/zinc/60/60/09/563606009.db2.gz KOBMVVUMEZOXGX-JOCHJYFZSA-N 1 0 301.433 5.415 50 0 DKAARO CC(C)[N@H+](Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002165402 563300724 /nfs/dbraw/zinc/30/07/24/563300724.db2.gz BSJOUDQYCYZHPW-UHFFFAOYSA-N 1 0 315.460 5.687 50 0 DKAARO CCC(C)(C)c1ccc(OCCCC[NH3+])c(C(C)(C)CC)c1 ZINC000002168326 563300786 /nfs/dbraw/zinc/30/07/86/563300786.db2.gz OZYOAOYHMMDTNZ-UHFFFAOYSA-N 1 0 305.506 5.180 50 0 DKAARO Cc1ccc(C[NH+]2CCC3(CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000002172290 563847437 /nfs/dbraw/zinc/84/74/37/563847437.db2.gz WXYBOYFWGLNFBA-RTWAWAEBSA-N 1 0 311.513 5.568 50 0 DKAARO Cc1ccc(C[NH+]2CCC3(CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000002172291 180913648 /nfs/dbraw/zinc/91/36/48/180913648.db2.gz WXYBOYFWGLNFBA-NHCUHLMSSA-N 1 0 311.513 5.568 50 0 DKAARO Cc1ccc(C[NH+]2CCC3(CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000002172292 563847384 /nfs/dbraw/zinc/84/73/84/563847384.db2.gz WXYBOYFWGLNFBA-SFTDATJTSA-N 1 0 311.513 5.568 50 0 DKAARO Cc1ccc(C[NH+]2CCC3(CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000002172293 563847296 /nfs/dbraw/zinc/84/72/96/563847296.db2.gz WXYBOYFWGLNFBA-LEWJYISDSA-N 1 0 311.513 5.568 50 0 DKAARO Clc1ccc(OCCCC[NH+]2CCCCC2)c2ccccc12 ZINC000002183534 180914487 /nfs/dbraw/zinc/91/44/87/180914487.db2.gz GVBZFKXGRDCMGS-UHFFFAOYSA-N 1 0 317.860 5.138 50 0 DKAARO CC[NH+](CC)[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002187340 563301633 /nfs/dbraw/zinc/30/16/33/563301633.db2.gz GGNVCJRUKKSYML-MRXNPFEDSA-N 1 0 317.885 5.430 50 0 DKAARO CCCC[NH2+][C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002193138 563301338 /nfs/dbraw/zinc/30/13/38/563301338.db2.gz ABJJWOOQGZBFFL-INIZCTEOSA-N 1 0 317.885 5.478 50 0 DKAARO CCCC[NH2+][C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000002193139 563301375 /nfs/dbraw/zinc/30/13/75/563301375.db2.gz ABJJWOOQGZBFFL-MRXNPFEDSA-N 1 0 317.885 5.478 50 0 DKAARO Clc1ccc([C@H](CC[NH+]2CCCC2)Cc2ccccc2)cc1 ZINC000002208551 563329938 /nfs/dbraw/zinc/32/99/38/563329938.db2.gz CVFDUSPRRDVDAK-LJQANCHMSA-N 1 0 313.872 5.152 50 0 DKAARO Clc1ccc([C@@H](CC[NH+]2CCCC2)Cc2ccccc2)cc1 ZINC000002208553 180915026 /nfs/dbraw/zinc/91/50/26/180915026.db2.gz CVFDUSPRRDVDAK-IBGZPJMESA-N 1 0 313.872 5.152 50 0 DKAARO C[C@H]([NH2+]CC[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000002296521 563925607 /nfs/dbraw/zinc/92/56/07/563925607.db2.gz IXTPHWBYQLBLAU-PXNSSMCTSA-N 1 0 305.421 5.152 50 0 DKAARO C[C@@H]([NH2+]CC[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000002296522 563925550 /nfs/dbraw/zinc/92/55/50/563925550.db2.gz IXTPHWBYQLBLAU-XLIONFOSSA-N 1 0 305.421 5.152 50 0 DKAARO C[C@H]([NH2+]CC[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000002296523 563925602 /nfs/dbraw/zinc/92/56/02/563925602.db2.gz IXTPHWBYQLBLAU-FXAWDEMLSA-N 1 0 305.421 5.152 50 0 DKAARO C[C@@H]([NH2+]CC[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000002296524 262522178 /nfs/dbraw/zinc/52/21/78/262522178.db2.gz IXTPHWBYQLBLAU-YLJYHZDGSA-N 1 0 305.421 5.152 50 0 DKAARO c1ccc2c(c1)CC1(CCCCC1)C1=C2[NH+]=C2CCCCCN2C1 ZINC000002298827 563925571 /nfs/dbraw/zinc/92/55/71/563925571.db2.gz QKYOZNAMALRSLW-UHFFFAOYSA-N 1 0 320.480 5.192 50 0 DKAARO Clc1ccc(OCCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000002466119 563303699 /nfs/dbraw/zinc/30/36/99/563303699.db2.gz HXYIPDWUFLDHCK-UHFFFAOYSA-N 1 0 316.272 5.028 50 0 DKAARO CC(C)=CCCCCCC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000002479666 563303656 /nfs/dbraw/zinc/30/36/56/563303656.db2.gz MSRFLADDFMDOFC-UHFFFAOYSA-N 1 0 314.517 5.034 50 0 DKAARO CCn1c2ccccc2c2cc(C[NH+]3CCC(C)CC3)ccc21 ZINC000002479784 563621663 /nfs/dbraw/zinc/62/16/63/563621663.db2.gz NONKQZBBCPUNTD-UHFFFAOYSA-N 1 0 306.453 5.046 50 0 DKAARO CCn1c2ccccc2c2cc(C[NH+]3CCCCCC3)ccc21 ZINC000002485322 563938264 /nfs/dbraw/zinc/93/82/64/563938264.db2.gz IOXNUUBQJXKMSH-UHFFFAOYSA-N 1 0 306.453 5.190 50 0 DKAARO CCn1c2ccccc2c2cc(C[NH+]3CCCCCCC3)ccc21 ZINC000002490535 563448861 /nfs/dbraw/zinc/44/88/61/563448861.db2.gz XGTCLJFUQUKRTB-UHFFFAOYSA-N 1 0 320.480 5.581 50 0 DKAARO Cc1cc(C)c(C)c(OCCCCCC[NH+]2CCCCC2)c1 ZINC000002494254 563304333 /nfs/dbraw/zinc/30/43/33/563304333.db2.gz ROOHIANKYPTIHZ-UHFFFAOYSA-N 1 0 303.490 5.037 50 0 DKAARO CCCCCCOc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002498568 563304642 /nfs/dbraw/zinc/30/46/42/563304642.db2.gz DOIJTQQECCDIJV-UHFFFAOYSA-N 1 0 323.480 5.204 50 0 DKAARO Cc1ccccc1-c1ccccc1[PH+](C(C)(C)C)C(C)(C)C ZINC000002507491 563305088 /nfs/dbraw/zinc/30/50/88/563305088.db2.gz UJONYAVMBYXBJQ-UHFFFAOYSA-N 1 0 312.437 6.366 50 0 DKAARO c1c(-c2ccccc2)n(-c2cccc3ccccc32)c2cccc[n+]12 ZINC000002546632 180934026 /nfs/dbraw/zinc/93/40/26/180934026.db2.gz SWFKXJQRCOHXMZ-UHFFFAOYSA-N 1 0 321.403 5.036 50 0 DKAARO C[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1 ZINC000002566547 563596419 /nfs/dbraw/zinc/59/64/19/563596419.db2.gz IOEUDCDSWFHKNJ-UHFFFAOYSA-N 1 0 322.431 5.512 50 0 DKAARO CC[C@H](C)[NH2+]CCCCOc1cccc(Oc2ccccc2)c1 ZINC000002822767 180961621 /nfs/dbraw/zinc/96/16/21/180961621.db2.gz LZQGXSYZBXDUHC-KRWDZBQOSA-N 1 0 313.441 5.026 50 0 DKAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000002822799 180961635 /nfs/dbraw/zinc/96/16/35/180961635.db2.gz RUMXHKBATICUCB-QZTJIDSGSA-N 1 0 317.517 5.121 50 0 DKAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002823374 563913108 /nfs/dbraw/zinc/91/31/08/563913108.db2.gz SQMYYWWOEICIFE-CQSZACIVSA-N 1 0 311.897 5.185 50 0 DKAARO CC[C@H](C)[NH2+]CCCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002823375 180962043 /nfs/dbraw/zinc/96/20/43/180962043.db2.gz SQMYYWWOEICIFE-AWEZNQCLSA-N 1 0 311.897 5.185 50 0 DKAARO CC[C@@H](C)c1ccccc1OCCC[N@H+](C)Cc1ccccc1 ZINC000002825394 563913142 /nfs/dbraw/zinc/91/31/42/563913142.db2.gz VKZUXKFTDPLPAS-GOSISDBHSA-N 1 0 311.469 5.101 50 0 DKAARO CC[C@H](C)c1ccccc1OCCC[N@H+](C)Cc1ccccc1 ZINC000002825395 563913080 /nfs/dbraw/zinc/91/30/80/563913080.db2.gz VKZUXKFTDPLPAS-SFHVURJKSA-N 1 0 311.469 5.101 50 0 DKAARO CC[C@@H](C)c1ccccc1OCCCC[NH+]1CCCCCC1 ZINC000002838817 563314290 /nfs/dbraw/zinc/31/42/90/563314290.db2.gz XVJBQXICCLJXSL-GOSISDBHSA-N 1 0 303.490 5.235 50 0 DKAARO CC[C@H](C)c1ccccc1OCCCC[NH+]1CCCCCC1 ZINC000002838818 563314193 /nfs/dbraw/zinc/31/41/93/563314193.db2.gz XVJBQXICCLJXSL-SFHVURJKSA-N 1 0 303.490 5.235 50 0 DKAARO Clc1ccc(OCCCC[NH+]2CCCCCC2)cc1Cl ZINC000002838840 563314375 /nfs/dbraw/zinc/31/43/75/563314375.db2.gz MCHJCNTUDKHTSQ-UHFFFAOYSA-N 1 0 316.272 5.028 50 0 DKAARO Cc1ccc(C(C)C)c(OCCCC[NH+]2CCCCCC2)c1 ZINC000002839096 563447060 /nfs/dbraw/zinc/44/70/60/563447060.db2.gz COLMPZWLXIBKBQ-UHFFFAOYSA-N 1 0 303.490 5.153 50 0 DKAARO c1ccc(-c2ccccc2OCCCC[NH+]2CCCCCC2)cc1 ZINC000002839476 180963070 /nfs/dbraw/zinc/96/30/70/180963070.db2.gz GOCMETWPMPECCN-UHFFFAOYSA-N 1 0 323.480 5.389 50 0 DKAARO CCCC[NH2+]Cc1cc(Cl)c(OCCCC)c(Cl)c1 ZINC000002863729 563315630 /nfs/dbraw/zinc/31/56/30/563315630.db2.gz VLLOUNWJQZLCKZ-UHFFFAOYSA-N 1 0 304.261 5.062 50 0 DKAARO CC(C)(C)c1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002880306 180967265 /nfs/dbraw/zinc/96/72/65/180967265.db2.gz UOMPYEUCKBYCBZ-UHFFFAOYSA-N 1 0 303.490 5.019 50 0 DKAARO CCCC[NH+](CCCC)CCCCSc1ccc(O)cc1 ZINC000002880434 563317062 /nfs/dbraw/zinc/31/70/62/563317062.db2.gz ZUZVQTQLIZYGCL-UHFFFAOYSA-N 1 0 309.519 5.167 50 0 DKAARO c1ccc2cc(OCCCCCC[NH+]3CCCCC3)ccc2c1 ZINC000002885535 180968052 /nfs/dbraw/zinc/96/80/52/180968052.db2.gz CSGIABKOVFXEPA-UHFFFAOYSA-N 1 0 311.469 5.265 50 0 DKAARO CC(C)(C)c1ccc(OCCCCCC[NH+]2CCCCC2)cc1 ZINC000002885596 563449515 /nfs/dbraw/zinc/44/95/15/563449515.db2.gz CNBLGBIDHZFDOU-UHFFFAOYSA-N 1 0 317.517 5.409 50 0 DKAARO CCCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1C ZINC000002893729 180968669 /nfs/dbraw/zinc/96/86/69/180968669.db2.gz KPHVTZSOWDALPT-UHFFFAOYSA-N 1 0 311.469 5.114 50 0 DKAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000002893947 257243033 /nfs/dbraw/zinc/24/30/33/257243033.db2.gz KDUKYMOEZIVCGG-UYAOXDASSA-N 1 0 301.474 5.020 50 0 DKAARO CC(C)c1cccc(C(C)C)c1OCCCC[NH+]1CCCCC1 ZINC000002897839 180968447 /nfs/dbraw/zinc/96/84/47/180968447.db2.gz YOGQTMFDJBMOAK-UHFFFAOYSA-N 1 0 317.517 5.578 50 0 DKAARO CC(C)c1cccc(C(C)C)c1OCCCCC[NH+]1CCCC1 ZINC000002898123 180968512 /nfs/dbraw/zinc/96/85/12/180968512.db2.gz XBWVAGQONDXACU-UHFFFAOYSA-N 1 0 317.517 5.578 50 0 DKAARO CC[NH+](CC)CCCCCCOc1c(C)cc(Cl)cc1C ZINC000002898734 563317382 /nfs/dbraw/zinc/31/73/82/563317382.db2.gz AAXOQVJYNNRPEY-UHFFFAOYSA-N 1 0 311.897 5.238 50 0 DKAARO CC(C)c1cccc(C(C)C)c1OCCC[NH+]1CCCCC1 ZINC000002899432 563317598 /nfs/dbraw/zinc/31/75/98/563317598.db2.gz KYKRPPYQRYACTO-UHFFFAOYSA-N 1 0 303.490 5.188 50 0 DKAARO Clc1ccc(OCCCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000002899473 180968493 /nfs/dbraw/zinc/96/84/93/180968493.db2.gz DEVVRHCBSXMZPX-UHFFFAOYSA-N 1 0 316.272 5.028 50 0 DKAARO CCCC[NH2+]CCCCCCOc1cc(C)c(Cl)c(C)c1 ZINC000002899627 180968498 /nfs/dbraw/zinc/96/84/98/180968498.db2.gz LYJIOPNONFFUEQ-UHFFFAOYSA-N 1 0 311.897 5.286 50 0 DKAARO CC(C)c1cccc(C(C)C)c1OCCCC[NH+]1CCCC1 ZINC000002900098 180968289 /nfs/dbraw/zinc/96/82/89/180968289.db2.gz LQNKMSHVUMGDPS-UHFFFAOYSA-N 1 0 303.490 5.188 50 0 DKAARO CCCC[NH2+]CCCCCCOc1ccc(Cl)cc1Cl ZINC000002900301 563317525 /nfs/dbraw/zinc/31/75/25/563317525.db2.gz QFRMTBDKWXSPSJ-UHFFFAOYSA-N 1 0 318.288 5.322 50 0 DKAARO CC[NH+](CC)CCCCCCOc1ccc(Cl)cc1Cl ZINC000002900513 563317368 /nfs/dbraw/zinc/31/73/68/563317368.db2.gz GNRHDAHKUMTOOM-UHFFFAOYSA-N 1 0 318.288 5.274 50 0 DKAARO CCCC[NH2+]CCCCCCOc1ccc(C(C)(C)C)cc1 ZINC000002901003 563317574 /nfs/dbraw/zinc/31/75/74/563317574.db2.gz QHPVHPVJPCXTRC-UHFFFAOYSA-N 1 0 305.506 5.313 50 0 DKAARO CCCC[NH2+]CCCCCCOc1c(Cl)cccc1Cl ZINC000002901026 563317456 /nfs/dbraw/zinc/31/74/56/563317456.db2.gz WPFDPKVUMXIOIO-UHFFFAOYSA-N 1 0 318.288 5.322 50 0 DKAARO CC[NH+](CC)CCCCCCOc1cc(C)c(Cl)c(C)c1 ZINC000002901127 563317321 /nfs/dbraw/zinc/31/73/21/563317321.db2.gz HTTRWXTVXYZGQS-UHFFFAOYSA-N 1 0 311.897 5.238 50 0 DKAARO Cc1cc(Cl)cc(C)c1OCCCCCC[NH+]1CCCCC1 ZINC000002901531 563317333 /nfs/dbraw/zinc/31/73/33/563317333.db2.gz TZYLMEOOXZCQPH-UHFFFAOYSA-N 1 0 323.908 5.382 50 0 DKAARO CC[NH+](CC)CCCCOc1c(C(C)C)cccc1C(C)C ZINC000002901891 180968994 /nfs/dbraw/zinc/96/89/94/180968994.db2.gz YCVCNSPSWJEPSQ-UHFFFAOYSA-N 1 0 305.506 5.434 50 0 DKAARO CCCC[NH2+]CCCCCCOc1ccccc1C(C)(C)C ZINC000002902822 563317417 /nfs/dbraw/zinc/31/74/17/563317417.db2.gz AOGJNTUNVCVJSH-UHFFFAOYSA-N 1 0 305.506 5.313 50 0 DKAARO Cc1cc(C)c(OCCCCCC[NH+]2CCCCC2)c(C)c1 ZINC000002902857 563317427 /nfs/dbraw/zinc/31/74/27/563317427.db2.gz QEYPHEMXBXUPOH-UHFFFAOYSA-N 1 0 303.490 5.037 50 0 DKAARO CCCC[NH2+]CCCCCCOc1cccc(Cl)c1Cl ZINC000002903190 563317405 /nfs/dbraw/zinc/31/74/05/563317405.db2.gz FIUPKIYTSOOCBA-UHFFFAOYSA-N 1 0 318.288 5.322 50 0 DKAARO CC[NH+](CC)CCCCCOc1c(C(C)C)cccc1C(C)C ZINC000002903668 180969353 /nfs/dbraw/zinc/96/93/53/180969353.db2.gz HSGCMUJKUXGWDK-UHFFFAOYSA-N 1 0 319.533 5.824 50 0 DKAARO CC(C)(C)[NH2+]CCCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002932042 563635560 /nfs/dbraw/zinc/63/55/60/563635560.db2.gz ZTMHTEAEOQZQEP-UHFFFAOYSA-N 1 0 324.679 5.194 50 0 DKAARO CCC(C)(C)c1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000003000398 563320660 /nfs/dbraw/zinc/32/06/60/563320660.db2.gz NLVYWCRLGFDESU-UHFFFAOYSA-N 1 0 303.490 5.019 50 0 DKAARO Cc1cc(C(C)(C)C)ccc1OCCCC[NH+]1CCC(C)CC1 ZINC000003001053 563320626 /nfs/dbraw/zinc/32/06/26/563320626.db2.gz KFSXEQKSARDSAH-UHFFFAOYSA-N 1 0 317.517 5.183 50 0 DKAARO CC(C)(C)[NH2+]CCCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003001258 180975970 /nfs/dbraw/zinc/97/59/70/180975970.db2.gz SKKHCNZMAHEQCV-UHFFFAOYSA-N 1 0 311.897 5.185 50 0 DKAARO CCCC[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21 ZINC000003097977 563439855 /nfs/dbraw/zinc/43/98/55/563439855.db2.gz PTOPXKVKQSHCOW-UHFFFAOYSA-N 1 0 313.424 5.143 50 0 DKAARO CC(C)(C)c1ccccc1OCCCCC[NH+]1CCCCC1 ZINC000003106074 180982037 /nfs/dbraw/zinc/98/20/37/180982037.db2.gz DBBKLIWTQJUIEE-UHFFFAOYSA-N 1 0 303.490 5.019 50 0 DKAARO CC[NH+](CC)CCCCCCOc1ccccc1C(C)(C)C ZINC000003106098 180982240 /nfs/dbraw/zinc/98/22/40/180982240.db2.gz TZNASKJVJLUHFE-UHFFFAOYSA-N 1 0 305.506 5.265 50 0 DKAARO CC[NH+](CC)CCCCCCOc1ccc(C(C)(C)C)cc1 ZINC000003106119 563321852 /nfs/dbraw/zinc/32/18/52/563321852.db2.gz AOGBEKRVIFRRPS-UHFFFAOYSA-N 1 0 305.506 5.265 50 0 DKAARO CC(C)c1ccc([N+]2=CN(C)c3ccc(C(C)C)cc3C2)cc1 ZINC000003119089 563321787 /nfs/dbraw/zinc/32/17/87/563321787.db2.gz ZFTBVOYQLNGQIJ-UHFFFAOYSA-N 1 0 307.461 5.256 50 0 DKAARO CC[n+]1c(C)sc2c1cc1c3c(cccc23)-c2ccccc2-1 ZINC000003151471 563639253 /nfs/dbraw/zinc/63/92/53/563639253.db2.gz GBXHXDKGWXFYOL-UHFFFAOYSA-N 1 0 302.422 5.318 50 0 DKAARO Cc1cc(Cl)ccc1OCCCCCC[NH+]1CCC(C)CC1 ZINC000003247081 563943217 /nfs/dbraw/zinc/94/32/17/563943217.db2.gz WUDBNOJIVQYDIQ-UHFFFAOYSA-N 1 0 323.908 5.320 50 0 DKAARO CCC(C)(C)C1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000003300108 181002464 /nfs/dbraw/zinc/00/24/64/181002464.db2.gz TVFUAUXNPUYSBN-UHFFFAOYSA-N 1 0 310.485 5.135 50 0 DKAARO CC1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000003415226 181016933 /nfs/dbraw/zinc/01/69/33/181016933.db2.gz NIYMDMBYZBTLME-UHFFFAOYSA-N 1 0 317.517 5.219 50 0 DKAARO CC(C)(C)c1cc(Cl)ccc1OCCCC[NH+]1CCCCC1 ZINC000003461621 181023505 /nfs/dbraw/zinc/02/35/05/181023505.db2.gz RBVQYUNJNREGRF-UHFFFAOYSA-N 1 0 323.908 5.282 50 0 DKAARO Cc1cc(OCCCCCC[NH+]2CCCCC2)ccc1Cl ZINC000003633592 181043004 /nfs/dbraw/zinc/04/30/04/181043004.db2.gz VWKPEFPGAOJEGT-UHFFFAOYSA-N 1 0 309.881 5.074 50 0 DKAARO Cc1ccc([C@@H](CC[NH2+]Cc2ccc(F)cc2)c2ccco2)cc1 ZINC000003647721 181043466 /nfs/dbraw/zinc/04/34/66/181043466.db2.gz KXYTXJUDZMMHPQ-HXUWFJFHSA-N 1 0 323.411 5.039 50 0 DKAARO Cc1ccc([C@H](CC[NH2+]Cc2ccc(F)cc2)c2ccco2)cc1 ZINC000003647724 181043550 /nfs/dbraw/zinc/04/35/50/181043550.db2.gz KXYTXJUDZMMHPQ-FQEVSTJZSA-N 1 0 323.411 5.039 50 0 DKAARO CC1=C(CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)C(C)(C)CCC1 ZINC000003681002 257267430 /nfs/dbraw/zinc/26/74/30/257267430.db2.gz VVYCDZPRXXKNFO-UHFFFAOYSA-N 1 0 322.496 5.443 50 0 DKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccc(Cl)cc1 ZINC000003683847 331483218 /nfs/dbraw/zinc/48/32/18/331483218.db2.gz IMZVYMDQVZARAQ-IBGZPJMESA-N 1 0 324.855 5.297 50 0 DKAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccc(Cl)cc1 ZINC000003683848 331483101 /nfs/dbraw/zinc/48/31/01/331483101.db2.gz IMZVYMDQVZARAQ-LJQANCHMSA-N 1 0 324.855 5.297 50 0 DKAARO CCn1c2ccccc2c2cc(C[NH2+]C3CCCCC3)ccc21 ZINC000003684487 563636391 /nfs/dbraw/zinc/63/63/91/563636391.db2.gz LBWUOSFEIJQALZ-UHFFFAOYSA-N 1 0 306.453 5.237 50 0 DKAARO C[NH2+][C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000003831444 181048160 /nfs/dbraw/zinc/04/81/60/181048160.db2.gz VGKDLMBJGBXTGI-PXAZEXFGSA-N 1 0 306.236 5.180 50 0 in-vitro DKAARO C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000003831445 181048086 /nfs/dbraw/zinc/04/80/86/181048086.db2.gz VGKDLMBJGBXTGI-YVEFUNNKSA-N 1 0 306.236 5.180 50 0 in-vitro DKAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004030841 181065428 /nfs/dbraw/zinc/06/54/28/181065428.db2.gz PKBJXKBRDPQZEK-CBPXPLCBSA-N 1 0 323.480 5.020 50 0 DKAARO C[C@H]([NH2+]CC[C@@H](Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000004040582 181065851 /nfs/dbraw/zinc/06/58/51/181065851.db2.gz XGUHOBOCZIFLSU-RXVVDRJESA-N 1 0 319.448 5.347 50 0 biogenic DKAARO C[C@@H]([NH2+]CC[C@@H](Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000004040584 181066253 /nfs/dbraw/zinc/06/62/53/181066253.db2.gz XGUHOBOCZIFLSU-NQIIRXRSSA-N 1 0 319.448 5.347 50 0 biogenic DKAARO C[C@H]([NH2+]CC[C@H](Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000004040586 181065606 /nfs/dbraw/zinc/06/56/06/181065606.db2.gz XGUHOBOCZIFLSU-GHTZIAJQSA-N 1 0 319.448 5.347 50 0 biogenic DKAARO C[C@@H]([NH2+]CC[C@H](Cc1ccccc1)c1ccco1)c1ccccc1 ZINC000004040588 181066130 /nfs/dbraw/zinc/06/61/30/181066130.db2.gz XGUHOBOCZIFLSU-WIYYLYMNSA-N 1 0 319.448 5.347 50 0 biogenic DKAARO Cc1ccc([C@@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccco2)cc1 ZINC000004041035 181065735 /nfs/dbraw/zinc/06/57/35/181065735.db2.gz AYTJUZWKPKBBCT-GHTZIAJQSA-N 1 0 319.448 5.461 50 0 biogenic DKAARO Cc1ccc([C@H](CC[NH2+][C@@H](C)c2ccccc2)c2ccco2)cc1 ZINC000004041036 181065673 /nfs/dbraw/zinc/06/56/73/181065673.db2.gz AYTJUZWKPKBBCT-RXVVDRJESA-N 1 0 319.448 5.461 50 0 biogenic DKAARO Cc1ccc([C@@H](CC[NH2+][C@H](C)c2ccccc2)c2ccco2)cc1 ZINC000004041040 181066136 /nfs/dbraw/zinc/06/61/36/181066136.db2.gz AYTJUZWKPKBBCT-WIYYLYMNSA-N 1 0 319.448 5.461 50 0 biogenic DKAARO Cc1ccc([C@H](CC[NH2+][C@H](C)c2ccccc2)c2ccco2)cc1 ZINC000004041043 181065677 /nfs/dbraw/zinc/06/56/77/181065677.db2.gz AYTJUZWKPKBBCT-NQIIRXRSSA-N 1 0 319.448 5.461 50 0 biogenic DKAARO CN(C)c1ccc(-c2cccc(-c3ccc(N(C)C)cc3)[o+]2)cc1 ZINC000004059078 181067852 /nfs/dbraw/zinc/06/78/52/181067852.db2.gz VLJGPSPNOMYCJE-UHFFFAOYSA-N 1 0 319.428 5.027 50 0 DKAARO C[C@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000004072726 181069465 /nfs/dbraw/zinc/06/94/65/181069465.db2.gz ZWBJXZKAKNVRLA-KRWDZBQOSA-N 1 0 321.489 5.621 50 0 DKAARO C[C@@H]([NH2+]CCC(c1ccccc1)c1ccccc1)c1cccs1 ZINC000004072727 181069735 /nfs/dbraw/zinc/06/97/35/181069735.db2.gz ZWBJXZKAKNVRLA-QGZVFWFLSA-N 1 0 321.489 5.621 50 0 DKAARO CC[C@]1(C)C[C@@](CC[NH2+][C@@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000004073462 181069923 /nfs/dbraw/zinc/06/99/23/181069923.db2.gz TWAQDSARJYWGDY-TYPHKJRUSA-N 1 0 317.517 5.349 50 0 biogenic DKAARO CC[C@]1(C)C[C@](CC[NH2+][C@@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000004073465 181069984 /nfs/dbraw/zinc/06/99/84/181069984.db2.gz TWAQDSARJYWGDY-CEWLAPEOSA-N 1 0 317.517 5.349 50 0 biogenic DKAARO CC(C)CC[C@@H](CC[NH2+]C/C=C/c1ccccc1)c1ccco1 ZINC000004084570 181071414 /nfs/dbraw/zinc/07/14/14/181071414.db2.gz DTNUQKLVXWBJHG-FXVWLTTGSA-N 1 0 311.469 5.493 50 0 biogenic DKAARO CC(C)CC[C@H](CC[NH2+]C/C=C/c1ccccc1)c1ccco1 ZINC000004084571 181071118 /nfs/dbraw/zinc/07/11/18/181071118.db2.gz DTNUQKLVXWBJHG-CLOLKSBNSA-N 1 0 311.469 5.493 50 0 biogenic DKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccco1)[C@@H]1CCOC(C)(C)C1 ZINC000004084607 181071028 /nfs/dbraw/zinc/07/10/28/181071028.db2.gz WOFHQFKMPWNEBG-ZWKOTPCHSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccco1)[C@@H]1CCOC(C)(C)C1 ZINC000004084608 181071372 /nfs/dbraw/zinc/07/13/72/181071372.db2.gz WOFHQFKMPWNEBG-QZTJIDSGSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccco1)[C@H]1CCOC(C)(C)C1 ZINC000004084609 181071468 /nfs/dbraw/zinc/07/14/68/181071468.db2.gz WOFHQFKMPWNEBG-ROUUACIJSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccco1)[C@H]1CCOC(C)(C)C1 ZINC000004084610 181071160 /nfs/dbraw/zinc/07/11/60/181071160.db2.gz WOFHQFKMPWNEBG-MSOLQXFVSA-N 1 0 321.505 5.017 50 0 biogenic DKAARO CC(C)CC[C@@H](CC[NH+]1CCCC1)c1ccc(OC(C)C)cc1 ZINC000004089549 181072247 /nfs/dbraw/zinc/07/22/47/181072247.db2.gz ZPXWVSWSWHQHLB-FQEVSTJZSA-N 1 0 317.517 5.480 50 0 biogenic DKAARO CC(C)CC[C@H](CC[NH+]1CCCC1)c1ccc(OC(C)C)cc1 ZINC000004089551 181071768 /nfs/dbraw/zinc/07/17/68/181071768.db2.gz ZPXWVSWSWHQHLB-HXUWFJFHSA-N 1 0 317.517 5.480 50 0 biogenic DKAARO CC(C)(C)c1ccc(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000004105065 181073362 /nfs/dbraw/zinc/07/33/62/181073362.db2.gz YNKWUVLSHVENDA-NRFANRHFSA-N 1 0 321.508 5.439 50 0 DKAARO CC(C)(C)c1ccc(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000004105066 181073653 /nfs/dbraw/zinc/07/36/53/181073653.db2.gz YNKWUVLSHVENDA-OAQYLSRUSA-N 1 0 321.508 5.439 50 0 DKAARO CCCCC1(O)C[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)C1 ZINC000004109018 181074568 /nfs/dbraw/zinc/07/45/68/181074568.db2.gz NOGGZZYZLNOAKR-SFTDATJTSA-N 1 0 323.480 5.116 50 0 DKAARO CCCCC1(O)C[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)C1 ZINC000004109019 181074604 /nfs/dbraw/zinc/07/46/04/181074604.db2.gz NOGGZZYZLNOAKR-NHCUHLMSSA-N 1 0 323.480 5.116 50 0 DKAARO CCCCCC[n+]1ccccc1/C=C/c1ccc(SC)cc1 ZINC000004118588 181076205 /nfs/dbraw/zinc/07/62/05/181076205.db2.gz NCWPCHVDSVRPNK-JLHYYAGUSA-N 1 0 312.502 5.447 50 0 DKAARO CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004128050 181076686 /nfs/dbraw/zinc/07/66/86/181076686.db2.gz KWSMMDMJKSEWTK-UHFFFAOYSA-N 1 0 315.460 5.368 50 0 DKAARO CC1=C/C(=C2\CCC[n+]3c4ccccc4sc32)CC(C)(C)C1 ZINC000004133427 181077511 /nfs/dbraw/zinc/07/75/11/181077511.db2.gz JYLPQVBJYGYBRG-NXVVXOECSA-N 1 0 310.486 5.503 50 0 DKAARO CC(C)(C)c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000004366727 181102589 /nfs/dbraw/zinc/10/25/89/181102589.db2.gz FNGBDRNGYNKNFP-UHFFFAOYSA-N 1 0 322.496 5.061 50 0 DKAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000004372529 181102995 /nfs/dbraw/zinc/10/29/95/181102995.db2.gz FRTPVRQZOKNCPK-HXUWFJFHSA-N 1 0 324.493 5.359 50 0 DKAARO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000004372530 181103357 /nfs/dbraw/zinc/10/33/57/181103357.db2.gz FRTPVRQZOKNCPK-FQEVSTJZSA-N 1 0 324.493 5.359 50 0 DKAARO C[n+]1c(/C=C/c2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000004377474 181104536 /nfs/dbraw/zinc/10/45/36/181104536.db2.gz UDJGEQYXKUYNFG-RMKNXTFCSA-N 1 0 315.223 5.142 50 0 DKAARO Clc1cccc(OCCCCC[NH+]2CCCCC2)c1Cl ZINC000004472854 181111258 /nfs/dbraw/zinc/11/12/58/181111258.db2.gz XIIFMNCCBXDESE-UHFFFAOYSA-N 1 0 316.272 5.028 50 0 DKAARO C[C@H]([NH2+]CC[C@H](c1ccco1)c1ccc(F)cc1)c1ccccc1 ZINC000004477786 181112191 /nfs/dbraw/zinc/11/21/91/181112191.db2.gz YXRJODAVDZLYFK-JXFKEZNVSA-N 1 0 323.411 5.292 50 0 DKAARO CCc1ccc(-c2cc(NC(CC)CC)c3ccccc3[nH+]2)cc1 ZINC000004542547 181122586 /nfs/dbraw/zinc/12/25/86/181122586.db2.gz GBBVCWYYZZOTTB-UHFFFAOYSA-N 1 0 318.464 6.065 50 0 DKAARO CCC(CC)Nc1cc(-c2ccc(OC)cc2)[nH+]c2ccccc12 ZINC000004542548 181122487 /nfs/dbraw/zinc/12/24/87/181122487.db2.gz PVHYHOSQFSUMIK-UHFFFAOYSA-N 1 0 320.436 5.511 50 0 DKAARO CCC(CC)Nc1c2c([nH+]c3ccccc31)-c1ccc(F)cc1C2 ZINC000004542549 181122644 /nfs/dbraw/zinc/12/26/44/181122644.db2.gz YLUNPFSUASAZGE-UHFFFAOYSA-N 1 0 320.411 5.546 50 0 DKAARO CCc1ccc(-c2cc(NC3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000004542553 181122455 /nfs/dbraw/zinc/12/24/55/181122455.db2.gz FPSULLRXPSAOSP-UHFFFAOYSA-N 1 0 316.448 5.819 50 0 DKAARO CCc1ccc(-c2cc(N(CC)CC)c3ccccc3[nH+]2)cc1 ZINC000004542554 181122466 /nfs/dbraw/zinc/12/24/66/181122466.db2.gz NIGDOLDZCXTHHO-UHFFFAOYSA-N 1 0 304.437 5.310 50 0 DKAARO CCc1ccc(-c2cc(N3CCCCC3)c3ccccc3[nH+]2)cc1 ZINC000004542570 181122557 /nfs/dbraw/zinc/12/25/57/181122557.db2.gz OMRCVMBSSWALBY-UHFFFAOYSA-N 1 0 316.448 5.455 50 0 DKAARO CCc1ccc(-c2cc(N3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000004542571 181122580 /nfs/dbraw/zinc/12/25/80/181122580.db2.gz MGXQRKFFBACUSD-UHFFFAOYSA-N 1 0 302.421 5.064 50 0 DKAARO COc1ccc(-c2cc(NC3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000004542897 181122308 /nfs/dbraw/zinc/12/23/08/181122308.db2.gz IFHVTDUBCHPYTA-UHFFFAOYSA-N 1 0 318.420 5.265 50 0 DKAARO Cc1c2c(c(C)c(C)c1C)[C@]13CCCCC1=C1CCCC[C@]21[N@H+]3C ZINC000004558293 181124372 /nfs/dbraw/zinc/12/43/72/181124372.db2.gz GPSBRQAKDZTRLX-ZRZAMGCNSA-N 1 0 321.508 5.714 50 0 DKAARO CCc1ccc(-c2cc(C)cc(-c3ccc(CC)cc3)[s+]2)cc1 ZINC000004566268 181125323 /nfs/dbraw/zinc/12/53/23/181125323.db2.gz OSWIMBHSYCHNRR-UHFFFAOYSA-N 1 0 319.493 6.796 50 0 DKAARO CC(C)(C)c1cc(C(C)(C)C)c([N+](O)=S)c(C(C)(C)C)c1 ZINC000004566276 181125084 /nfs/dbraw/zinc/12/50/84/181125084.db2.gz NJYGNXSSLYFCOV-UHFFFAOYSA-N 1 0 307.503 5.451 50 0 DKAARO CCOc1cc(Sc2ccc(C)cc2)c(OCC)cc1[N+]#N ZINC000004577214 181126725 /nfs/dbraw/zinc/12/67/25/181126725.db2.gz LEVPVSDWYICRIN-UHFFFAOYSA-N 1 0 315.418 5.428 50 0 DKAARO C[n+]1c(/C=C\c2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000004578875 181126783 /nfs/dbraw/zinc/12/67/83/181126783.db2.gz VDDOEHLSGGZPRC-QXMHVHEDSA-N 1 0 315.223 5.142 50 0 DKAARO C[n+]1ccc(/C=C\c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000004582439 181126744 /nfs/dbraw/zinc/12/67/44/181126744.db2.gz SWPUCIQTOSFBSW-VURMDHGXSA-N 1 0 315.223 5.142 50 0 DKAARO CC(C)C(C)(C)[C@@H](CSC(N)=[NH2+])C(C)(C)CC(C)(C)C ZINC000004582880 181126694 /nfs/dbraw/zinc/12/66/94/181126694.db2.gz UZFCHOXONPQMQU-ZDUSSCGKSA-N 1 0 300.556 5.374 50 0 DKAARO CC(C)C(C)(C)[C@H](CSC(N)=[NH2+])C(C)(C)CC(C)(C)C ZINC000004582881 181126819 /nfs/dbraw/zinc/12/68/19/181126819.db2.gz UZFCHOXONPQMQU-CYBMUJFWSA-N 1 0 300.556 5.374 50 0 DKAARO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000004599645 181128667 /nfs/dbraw/zinc/12/86/67/181128667.db2.gz PRUGBXMBFSNOSN-UHFFFAOYSA-N 1 0 315.460 5.240 50 0 DKAARO c1ccc(CC2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000004600033 181128860 /nfs/dbraw/zinc/12/88/60/181128860.db2.gz NOLWAISSCDTHHL-UHFFFAOYSA-N 1 0 315.460 5.295 50 0 DKAARO Clc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000004657414 181132725 /nfs/dbraw/zinc/13/27/25/181132725.db2.gz IRNBVYIGPSLUAT-UHFFFAOYSA-N 1 0 307.824 5.219 50 0 DKAARO Cc1ccc(-c2c[nH+]c(NCc3ccc(C(C)C)cc3)n2C)cc1 ZINC000004678510 181136075 /nfs/dbraw/zinc/13/60/75/181136075.db2.gz QPQJOLKOTGSHLO-UHFFFAOYSA-N 1 0 319.452 5.131 50 0 DKAARO CC(C)(C)c1cc(C[NH2+]C2CCCC2)cc(C(C)(C)C)c1O ZINC000004681266 181136095 /nfs/dbraw/zinc/13/60/95/181136095.db2.gz OOWWQKQMVRNHMX-UHFFFAOYSA-N 1 0 303.490 5.019 50 0 DKAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004688988 181137067 /nfs/dbraw/zinc/13/70/67/181137067.db2.gz OTNJFCYELHWUEZ-ZDUSSCGKSA-N 1 0 308.252 5.104 50 0 DKAARO C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000004688989 181137050 /nfs/dbraw/zinc/13/70/50/181137050.db2.gz OTNJFCYELHWUEZ-CYBMUJFWSA-N 1 0 308.252 5.104 50 0 DKAARO Clc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000004688994 181137140 /nfs/dbraw/zinc/13/71/40/181137140.db2.gz WCNPOCSEYVAHPI-KRWDZBQOSA-N 1 0 306.236 5.161 50 0 DKAARO Clc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000004688995 181137046 /nfs/dbraw/zinc/13/70/46/181137046.db2.gz WCNPOCSEYVAHPI-QGZVFWFLSA-N 1 0 306.236 5.161 50 0 DKAARO CCCC[NH+](C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000004699197 181139153 /nfs/dbraw/zinc/13/91/53/181139153.db2.gz KDGWULBZBWAZMJ-OTYYAQKOSA-N 1 0 305.465 5.515 50 0 DKAARO CC[NH+](CC)CCCN1c2ccccc2Sc2ccccc21 ZINC000004706746 535510875 /nfs/dbraw/zinc/51/08/75/535510875.db2.gz TWLIUUWAOPVNEC-UHFFFAOYSA-N 1 0 312.482 5.021 50 0 DKAARO CC(=O)[S+]=c1ssc2c1-c1ccc(C)cc1NC2(C)C ZINC000004734366 181144651 /nfs/dbraw/zinc/14/46/51/181144651.db2.gz OMWNXDSQTAHJID-UHFFFAOYSA-N 1 0 322.500 5.365 50 0 DKAARO c1cc(C2CCCCCC2)cc2c3c4n(c12)CC[NH2+][C@@H]4CCC3 ZINC000004817390 181156221 /nfs/dbraw/zinc/15/62/21/181156221.db2.gz SLDKFENHOZHVFN-LJQANCHMSA-N 1 0 308.469 5.060 50 0 DKAARO c1cc(C2CCCCCC2)cc2c3c4n(c12)CC[NH2+][C@H]4CCC3 ZINC000004817391 181155922 /nfs/dbraw/zinc/15/59/22/181155922.db2.gz SLDKFENHOZHVFN-IBGZPJMESA-N 1 0 308.469 5.060 50 0 DKAARO CC1CC[NH+](CCCCOc2ccccc2-c2ccccc2)CC1 ZINC000004845336 181162431 /nfs/dbraw/zinc/16/24/31/181162431.db2.gz MRZZAIYUACOFLA-UHFFFAOYSA-N 1 0 323.480 5.245 50 0 DKAARO CC[C@@H](C)c1ccccc1OCCCC[NH+]1CCC(C)CC1 ZINC000004845561 181162613 /nfs/dbraw/zinc/16/26/13/181162613.db2.gz DLHQLRBCATXJFK-GOSISDBHSA-N 1 0 303.490 5.091 50 0 DKAARO CC[C@H](C)c1ccccc1OCCCC[NH+]1CCC(C)CC1 ZINC000004845562 181162592 /nfs/dbraw/zinc/16/25/92/181162592.db2.gz DLHQLRBCATXJFK-SFHVURJKSA-N 1 0 303.490 5.091 50 0 DKAARO Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2[nH+]1 ZINC000004894786 181169199 /nfs/dbraw/zinc/16/91/99/181169199.db2.gz LNOOWVCFYCENQX-UHFFFAOYSA-N 1 0 303.192 5.594 50 0 DKAARO COc1ccc(Cl)cc1Nc1cc(C)[nH+]c2c(C)cccc12 ZINC000004894790 181169549 /nfs/dbraw/zinc/16/95/49/181169549.db2.gz SZPMYBZEHXIKKQ-UHFFFAOYSA-N 1 0 312.800 5.257 50 0 DKAARO C[C@@H]([NH2+]CC[C@H](c1ccco1)c1ccc(F)cc1)c1ccccc1 ZINC000004897936 181170411 /nfs/dbraw/zinc/17/04/11/181170411.db2.gz YXRJODAVDZLYFK-UZLBHIALSA-N 1 0 323.411 5.292 50 0 DKAARO C[C@H]([NH2+]CC[C@@H](c1ccco1)c1ccc(F)cc1)c1ccccc1 ZINC000004897937 181170213 /nfs/dbraw/zinc/17/02/13/181170213.db2.gz YXRJODAVDZLYFK-OXJNMPFZSA-N 1 0 323.411 5.292 50 0 DKAARO C[C@@H]([NH2+]CC[C@@H](c1ccco1)c1ccc(F)cc1)c1ccccc1 ZINC000004897938 181170364 /nfs/dbraw/zinc/17/03/64/181170364.db2.gz YXRJODAVDZLYFK-OXQOHEQNSA-N 1 0 323.411 5.292 50 0 DKAARO Clc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000004905646 181171486 /nfs/dbraw/zinc/17/14/86/181171486.db2.gz AQOUKOIMAVOMON-UHFFFAOYSA-N 1 0 308.812 5.511 50 0 DKAARO CC(=O)c1cccc(Nc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000004905652 181171750 /nfs/dbraw/zinc/17/17/50/181171750.db2.gz ZGLMBFXLMGIEBR-UHFFFAOYSA-N 1 0 316.404 5.060 50 0 DKAARO Fc1ccc(F)c(Nc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000004905685 181171377 /nfs/dbraw/zinc/17/13/77/181171377.db2.gz HLHSXFPZNDZRMM-UHFFFAOYSA-N 1 0 310.347 5.135 50 0 DKAARO Fc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)c(F)c1 ZINC000004922278 181172738 /nfs/dbraw/zinc/17/27/38/181172738.db2.gz ONMDABXBMOHNOR-UHFFFAOYSA-N 1 0 310.347 5.135 50 0 DKAARO COc1ccc(C)cc1Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000004922340 181173825 /nfs/dbraw/zinc/17/38/25/181173825.db2.gz QVQCQLPUQXVSAQ-UHFFFAOYSA-N 1 0 318.420 5.174 50 0 DKAARO CCc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000004922348 181173919 /nfs/dbraw/zinc/17/39/19/181173919.db2.gz YTSWUXQPOLANJR-UHFFFAOYSA-N 1 0 302.421 5.420 50 0 DKAARO CC(C)c1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000004922353 181173765 /nfs/dbraw/zinc/17/37/65/181173765.db2.gz OZXUDZMTTCLPMQ-UHFFFAOYSA-N 1 0 316.448 5.981 50 0 DKAARO CCc1cccc(Nc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000004922375 181173520 /nfs/dbraw/zinc/17/35/20/181173520.db2.gz RFABSKJZACAOQT-UHFFFAOYSA-N 1 0 302.421 5.420 50 0 DKAARO Fc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1Cl ZINC000004923553 181173760 /nfs/dbraw/zinc/17/37/60/181173760.db2.gz PAJDPJIJMAZZCQ-UHFFFAOYSA-N 1 0 312.775 5.260 50 0 DKAARO Cc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)c(Cl)c1 ZINC000004923630 181173679 /nfs/dbraw/zinc/17/36/79/181173679.db2.gz DVJNVVCOLOKBGO-UHFFFAOYSA-N 1 0 308.812 5.429 50 0 DKAARO c1cc(C2CCCCC2)cc2c3c4n(c12)CCC[NH2+][C@@H]4CCC3 ZINC000004959779 181179682 /nfs/dbraw/zinc/17/96/82/181179682.db2.gz AIPXLPATXQGPKB-LJQANCHMSA-N 1 0 308.469 5.060 50 0 DKAARO c1cc(C2CCCCC2)cc2c3c4n(c12)CCC[NH2+][C@H]4CCC3 ZINC000004959780 181180065 /nfs/dbraw/zinc/18/00/65/181180065.db2.gz AIPXLPATXQGPKB-IBGZPJMESA-N 1 0 308.469 5.060 50 0 DKAARO CCCC[N@H+](C/C=C/c1ccccc1OC)Cc1ccccc1 ZINC000004988236 181185341 /nfs/dbraw/zinc/18/53/41/181185341.db2.gz DLYIEASAMSNPJV-GXDHUFHOSA-N 1 0 309.453 5.011 50 0 DKAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004988277 181185255 /nfs/dbraw/zinc/18/52/55/181185255.db2.gz DSFVTRCLYACVIR-OAHLLOKOSA-N 1 0 317.517 5.362 50 0 DKAARO C[C@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004988281 181185087 /nfs/dbraw/zinc/18/50/87/181185087.db2.gz DSFVTRCLYACVIR-HNNXBMFYSA-N 1 0 317.517 5.362 50 0 DKAARO Clc1ccc(Oc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000004988311 181185763 /nfs/dbraw/zinc/18/57/63/181185763.db2.gz PTJPSVULAOUZOB-UHFFFAOYSA-N 1 0 301.817 5.118 50 0 DKAARO CCCC[N@H+](C)Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000004988330 181185919 /nfs/dbraw/zinc/18/59/19/181185919.db2.gz MSZWPBDCARXIDK-UHFFFAOYSA-N 1 0 303.833 5.364 50 0 DKAARO C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004988783 181185854 /nfs/dbraw/zinc/18/58/54/181185854.db2.gz HDJMLRURBDOEBG-OAHLLOKOSA-N 1 0 315.844 5.364 50 0 DKAARO C[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000004988785 181185980 /nfs/dbraw/zinc/18/59/80/181185980.db2.gz HDJMLRURBDOEBG-HNNXBMFYSA-N 1 0 315.844 5.364 50 0 DKAARO CC1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000004989003 181185785 /nfs/dbraw/zinc/18/57/85/181185785.db2.gz YJPWCVFUNHOJJM-UHFFFAOYSA-N 1 0 315.844 5.364 50 0 DKAARO CCCCOc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000004989112 181185967 /nfs/dbraw/zinc/18/59/67/181185967.db2.gz KDUKYMOEZIVCGG-QUCCMNQESA-N 1 0 301.474 5.020 50 0 DKAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000004989113 181186195 /nfs/dbraw/zinc/18/61/95/181186195.db2.gz KDUKYMOEZIVCGG-ICSRJNTNSA-N 1 0 301.474 5.020 50 0 DKAARO Clc1ccc(Oc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000004990252 181185710 /nfs/dbraw/zinc/18/57/10/181185710.db2.gz JKIPEGHXEKIXMD-UHFFFAOYSA-N 1 0 315.844 5.508 50 0 DKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2cccc(Cl)c2)o1 ZINC000005031694 181193818 /nfs/dbraw/zinc/19/38/18/181193818.db2.gz GGXXSMPEMQHBHQ-CYBMUJFWSA-N 1 0 305.849 5.087 50 0 DKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2cccc(Cl)c2)o1 ZINC000005031701 181194073 /nfs/dbraw/zinc/19/40/73/181194073.db2.gz GGXXSMPEMQHBHQ-ZDUSSCGKSA-N 1 0 305.849 5.087 50 0 DKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000005031719 181194096 /nfs/dbraw/zinc/19/40/96/181194096.db2.gz UOSYWJGWNBCUAK-ZXJCKZHESA-N 1 0 315.501 5.059 50 0 DKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000005031723 181193737 /nfs/dbraw/zinc/19/37/37/181193737.db2.gz UOSYWJGWNBCUAK-OAMWCXBBSA-N 1 0 315.501 5.059 50 0 DKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000005031727 563450310 /nfs/dbraw/zinc/45/03/10/563450310.db2.gz KMABIVLEAYUVMA-HIFRSBDPSA-N 1 0 303.421 5.134 50 0 DKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000005031733 563450793 /nfs/dbraw/zinc/45/07/93/563450793.db2.gz KMABIVLEAYUVMA-ZFWWWQNUSA-N 1 0 303.421 5.134 50 0 DKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000005031738 563450717 /nfs/dbraw/zinc/45/07/17/563450717.db2.gz KMABIVLEAYUVMA-UKRRQHHQSA-N 1 0 303.421 5.134 50 0 DKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000005031748 563450519 /nfs/dbraw/zinc/45/05/19/563450519.db2.gz KMABIVLEAYUVMA-DZGCQCFKSA-N 1 0 303.421 5.134 50 0 DKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000005031824 181194012 /nfs/dbraw/zinc/19/40/12/181194012.db2.gz JTYHQBFPYOBRDP-CYBMUJFWSA-N 1 0 305.849 5.087 50 0 DKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000005031829 181193655 /nfs/dbraw/zinc/19/36/55/181193655.db2.gz JTYHQBFPYOBRDP-ZDUSSCGKSA-N 1 0 305.849 5.087 50 0 DKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2)o1 ZINC000005031832 181193686 /nfs/dbraw/zinc/19/36/86/181193686.db2.gz VVIMUXMYSBHXOX-CQSZACIVSA-N 1 0 319.876 5.130 50 0 DKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCc2ccc(Cl)cc2)o1 ZINC000005031837 181194043 /nfs/dbraw/zinc/19/40/43/181194043.db2.gz VVIMUXMYSBHXOX-AWEZNQCLSA-N 1 0 319.876 5.130 50 0 DKAARO Cc1ccc(-c2cc3cccc[n+]3cc2-c2ccc(C)cc2)cc1 ZINC000005051375 181197094 /nfs/dbraw/zinc/19/70/94/181197094.db2.gz ANRIDOBNRMAQSL-UHFFFAOYSA-N 1 0 310.420 5.376 50 0 DKAARO CN(C)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000005140582 181208657 /nfs/dbraw/zinc/20/86/57/181208657.db2.gz RKUHKZXJHGGGSK-UHFFFAOYSA-N 1 0 317.457 5.525 50 0 DKAARO c1ccc(-c2cc(-c3ccccc3)c3c([s+]2)CCCC3)cc1 ZINC000005165586 181212495 /nfs/dbraw/zinc/21/24/95/181212495.db2.gz IUSCHIQYOUKZHG-UHFFFAOYSA-N 1 0 303.450 6.242 50 0 DKAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccc(F)cc1)c1ccco1 ZINC000005246775 181221149 /nfs/dbraw/zinc/22/11/49/181221149.db2.gz SARJKJCEQJOWSU-KRWDZBQOSA-N 1 0 303.421 5.118 50 0 DKAARO CC(C)CC[C@H](CC[NH2+]Cc1ccc(F)cc1)c1ccco1 ZINC000005246776 181221009 /nfs/dbraw/zinc/22/10/09/181221009.db2.gz SARJKJCEQJOWSU-QGZVFWFLSA-N 1 0 303.421 5.118 50 0 DKAARO CC(C)(C)c1cc(-c2ccc(Cl)cc2)cc(C(C)(C)C)[s+]1 ZINC000005284235 181226667 /nfs/dbraw/zinc/22/66/67/181226667.db2.gz DAVJNVNLSNQASJ-UHFFFAOYSA-N 1 0 319.921 6.945 50 0 DKAARO CC(C)(C)c1cc(-c2ccc(F)cc2)cc(C(C)(C)C)[s+]1 ZINC000005284236 181226498 /nfs/dbraw/zinc/22/64/98/181226498.db2.gz CEGLSNXEIBTGDV-UHFFFAOYSA-N 1 0 303.466 6.430 50 0 DKAARO COc1ccc(-c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)cc1 ZINC000005284237 181226612 /nfs/dbraw/zinc/22/66/12/181226612.db2.gz KYUCYCFDDNCFNO-UHFFFAOYSA-N 1 0 315.502 6.300 50 0 DKAARO CC(C)(C)c1cc(-c2ccccc2F)cc(C(C)(C)C)[s+]1 ZINC000005284241 181226502 /nfs/dbraw/zinc/22/65/02/181226502.db2.gz NCODSYVOEQFDOQ-UHFFFAOYSA-N 1 0 303.466 6.430 50 0 DKAARO CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[s+]1 ZINC000005284243 181226438 /nfs/dbraw/zinc/22/64/38/181226438.db2.gz LRWFVZSAPMQXKZ-UHFFFAOYSA-N 1 0 305.466 6.661 50 0 DKAARO CC(C)[n+]1c2c(c(-c3ccccc3)cc1-c1ccccc1)CCC2 ZINC000005285145 181226368 /nfs/dbraw/zinc/22/63/68/181226368.db2.gz JTOIPXLYBTUICG-UHFFFAOYSA-N 1 0 314.452 5.378 50 0 DKAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c2ccccc12 ZINC000005513391 181251999 /nfs/dbraw/zinc/25/19/99/181251999.db2.gz SMDNZGKRHNEIQD-OAQYLSRUSA-N 1 0 317.432 5.016 50 0 DKAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c2ccccc12 ZINC000005513392 181252030 /nfs/dbraw/zinc/25/20/30/181252030.db2.gz SMDNZGKRHNEIQD-NRFANRHFSA-N 1 0 317.432 5.016 50 0 DKAARO c1ccc2c(c1)c1ccccc1n2CCCC[NH+]1CCCCC1 ZINC000005521127 181253304 /nfs/dbraw/zinc/25/33/04/181253304.db2.gz NPEUNQUSCHYCBJ-UHFFFAOYSA-N 1 0 306.453 5.061 50 0 DKAARO C[NH+](C)CC/C=C1\c2ccccc2Sc2cccc(C3CC3)c21 ZINC000005524858 563624109 /nfs/dbraw/zinc/62/41/09/563624109.db2.gz RVJMYQHVZVKOPU-GIJQJNRQSA-N 1 0 321.489 5.412 50 0 DKAARO C[C@H]1c2ccccc2S[C@@H](CCC[NH+](C)C)c2ccccc21 ZINC000005559837 181257470 /nfs/dbraw/zinc/25/74/70/181257470.db2.gz QZJSTFQILYOCCT-QRWLVFNGSA-N 1 0 311.494 5.327 50 0 DKAARO C[C@H]1c2ccccc2S[C@H](CCC[NH+](C)C)c2ccccc21 ZINC000005559839 181257374 /nfs/dbraw/zinc/25/73/74/181257374.db2.gz QZJSTFQILYOCCT-FOIQADDNSA-N 1 0 311.494 5.327 50 0 DKAARO C[C@@H]1c2ccccc2S[C@H](CCC[NH+](C)C)c2ccccc21 ZINC000005574844 181258935 /nfs/dbraw/zinc/25/89/35/181258935.db2.gz QZJSTFQILYOCCT-MGPUTAFESA-N 1 0 311.494 5.327 50 0 DKAARO Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2cccc(C)c2[nH+]1 ZINC000005593383 181261749 /nfs/dbraw/zinc/26/17/49/181261749.db2.gz GKEAAEOINNJZDX-UHFFFAOYSA-N 1 0 317.219 5.902 50 0 DKAARO C[N@H+](CCCc1ccccc1)C1(c2cccs2)CCCCC1 ZINC000005668499 181269324 /nfs/dbraw/zinc/26/93/24/181269324.db2.gz QGOGOFSXGBOMML-UHFFFAOYSA-N 1 0 313.510 5.472 50 0 DKAARO C[NH+](C)CC/C=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000005674759 563650624 /nfs/dbraw/zinc/65/06/24/563650624.db2.gz ZWADQKBIAKHZFT-GIJQJNRQSA-N 1 0 319.370 5.089 50 0 DKAARO C[NH+](C)CC/C=C(/c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000005688768 563653028 /nfs/dbraw/zinc/65/30/28/563653028.db2.gz ZWADQKBIAKHZFT-NVMNQCDNSA-N 1 0 319.370 5.089 50 0 DKAARO c1ccc(-c2cc(NC3CCCCC3)c3ccccc3[nH+]2)cc1 ZINC000005738423 181279357 /nfs/dbraw/zinc/27/93/57/181279357.db2.gz PBQFPWPBKJGLIC-UHFFFAOYSA-N 1 0 302.421 5.646 50 0 DKAARO CC1CCN(c2cc(-c3ccccc3)[nH+]c3ccccc32)CC1 ZINC000005950656 563330801 /nfs/dbraw/zinc/33/08/01/563330801.db2.gz MCBCWWVSTJUZGB-UHFFFAOYSA-N 1 0 302.421 5.138 50 0 DKAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(Cl)cc3)c2c1 ZINC000006026683 181307219 /nfs/dbraw/zinc/30/72/19/181307219.db2.gz VCTRRIMEOSKQCM-UHFFFAOYSA-N 1 0 312.800 5.339 50 0 DKAARO Clc1ccc(-c2cc(N3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000006243843 181321909 /nfs/dbraw/zinc/32/19/09/181321909.db2.gz MTIPICCXAJTMGK-UHFFFAOYSA-N 1 0 308.812 5.155 50 0 DKAARO CC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c1 ZINC000006266194 181324499 /nfs/dbraw/zinc/32/44/99/181324499.db2.gz ICMJOMIJFNZMLY-UHFFFAOYSA-N 1 0 304.393 5.106 50 0 DKAARO Cc1cc(Nc2cccc(C(F)(F)F)c2)c2cccc(C)c2[nH+]1 ZINC000006268333 181324846 /nfs/dbraw/zinc/32/48/46/181324846.db2.gz KGBJWZLDSHIBCZ-UHFFFAOYSA-N 1 0 316.326 5.614 50 0 DKAARO c1coc(C[NH2+]CCCCCCOc2ccc3ccccc3c2)c1 ZINC000006345438 181333275 /nfs/dbraw/zinc/33/32/75/181333275.db2.gz VTFBKXKBXZXZFA-UHFFFAOYSA-N 1 0 323.436 5.162 50 0 DKAARO CCOc1ccccc1Nc1cc(C)[nH+]c2c(C)cc(C)cc12 ZINC000006418758 181340125 /nfs/dbraw/zinc/34/01/25/181340125.db2.gz VSCIASIEDSDTBN-UHFFFAOYSA-N 1 0 306.409 5.302 50 0 DKAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3Cl)o2)cc1 ZINC000006558935 181355196 /nfs/dbraw/zinc/35/51/96/181355196.db2.gz PXEXEMLATQGZLF-UHFFFAOYSA-N 1 0 311.812 5.198 50 0 DKAARO c1ccc(Oc2cccc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)c2)cc1 ZINC000006667517 181367927 /nfs/dbraw/zinc/36/79/27/181367927.db2.gz XKNVBYIFCUFQJA-KNQAVFIVSA-N 1 0 321.464 5.634 50 0 DKAARO c1ccc(Oc2cccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)c2)cc1 ZINC000006667518 181368094 /nfs/dbraw/zinc/36/80/94/181368094.db2.gz XKNVBYIFCUFQJA-UGKGYDQZSA-N 1 0 321.464 5.634 50 0 DKAARO Cc1cc(C(C)(C)C)cc(C)c1C[n+]1ccc2ccccc2c1 ZINC000006671080 181368849 /nfs/dbraw/zinc/36/88/49/181368849.db2.gz OFXDDRLJFPKGTA-UHFFFAOYSA-N 1 0 304.457 5.090 50 0 DKAARO Cc1cc(C)cc(Nc2c3ccccc3[nH+]c3c2CCCC3)c1 ZINC000006721939 181376743 /nfs/dbraw/zinc/37/67/43/181376743.db2.gz UYOMHXGTHRLATO-UHFFFAOYSA-N 1 0 302.421 5.474 50 0 DKAARO Cc1cc(Cl)ccc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000006738754 181380586 /nfs/dbraw/zinc/38/05/86/181380586.db2.gz NONITXOJLBVANG-UHFFFAOYSA-N 1 0 308.812 5.429 50 0 DKAARO CCc1ccccc1Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000006746211 181381594 /nfs/dbraw/zinc/38/15/94/181381594.db2.gz BODIINXOWFRHAZ-UHFFFAOYSA-N 1 0 302.421 5.420 50 0 DKAARO CC(C)[C@@H](CC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000006758432 181384215 /nfs/dbraw/zinc/38/42/15/181384215.db2.gz BJMLZAWCFUUOJS-HXUWFJFHSA-N 1 0 313.872 5.486 50 0 DKAARO CC(C)[C@H](CC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000006758434 181384203 /nfs/dbraw/zinc/38/42/03/181384203.db2.gz BJMLZAWCFUUOJS-FQEVSTJZSA-N 1 0 313.872 5.486 50 0 DKAARO CCn1c2ccccc2c2cc(C[NH2+]Cc3cccs3)ccc21 ZINC000006871196 563334541 /nfs/dbraw/zinc/33/45/41/563334541.db2.gz XQYWOIAETIDHAM-UHFFFAOYSA-N 1 0 320.461 5.166 50 0 DKAARO CCc1c(C[NH+]2CCC(Cc3ccccc3)CC2)csc1C ZINC000006895154 563898679 /nfs/dbraw/zinc/89/86/79/563898679.db2.gz WJLJYCWTKGHJAH-UHFFFAOYSA-N 1 0 313.510 5.074 50 0 DKAARO CCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000007261309 563337252 /nfs/dbraw/zinc/33/72/52/563337252.db2.gz SWRRZBFJHAFUNA-UHFFFAOYSA-N 1 0 317.860 5.199 50 0 DKAARO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000007262340 563877863 /nfs/dbraw/zinc/87/78/63/563877863.db2.gz BEEATTHJMIDYFM-UHFFFAOYSA-N 1 0 324.251 5.072 50 0 DKAARO Clc1ccccc1CNC1c2ccccc2-c2ccccc21 ZINC000007387533 563905695 /nfs/dbraw/zinc/90/56/95/563905695.db2.gz PEDBMOLSFMZXJX-UHFFFAOYSA-N 1 0 305.808 5.200 50 0 DKAARO Fc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1Cl ZINC000007539698 181473660 /nfs/dbraw/zinc/47/36/60/181473660.db2.gz INKMGPKNSCIYFL-UHFFFAOYSA-N 1 0 307.796 5.161 50 0 DKAARO Fc1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1Cl ZINC000007539762 568412397 /nfs/dbraw/zinc/41/23/97/568412397.db2.gz PMFWHLHSJONUTH-UHFFFAOYSA-N 1 0 321.804 5.090 50 0 DKAARO C[C@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000008395591 563948464 /nfs/dbraw/zinc/94/84/64/563948464.db2.gz KTDVXZXAYYEKTE-LBPRGKRZSA-N 1 0 317.841 5.512 50 0 DKAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000008395592 563948500 /nfs/dbraw/zinc/94/85/00/563948500.db2.gz KTDVXZXAYYEKTE-GFCCVEGCSA-N 1 0 317.841 5.512 50 0 DKAARO CSc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000008534531 181562187 /nfs/dbraw/zinc/56/21/87/181562187.db2.gz GDDIEWDQKPUSOV-JUNHRQJPSA-N 1 0 315.526 5.247 50 0 DKAARO Cc1cc2c(cc1C)C(Nc1ccc(C(C)C)cc1)=[NH+]C(C)(C)C2 ZINC000009061209 563952162 /nfs/dbraw/zinc/95/21/62/563952162.db2.gz BUMDYDZPJCKEHP-UHFFFAOYSA-N 1 0 320.480 5.620 50 0 DKAARO Clc1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000011612122 563650085 /nfs/dbraw/zinc/65/00/85/563650085.db2.gz KTADEPVBYLFMBE-UHFFFAOYSA-N 1 0 304.780 5.322 50 0 DKAARO Cc1cccc2cc(C[NH2+]CC(C)C)c(-c3cccs3)nc12 ZINC000012166184 563363400 /nfs/dbraw/zinc/36/34/00/563363400.db2.gz ZCHORXDQPKTEGN-UHFFFAOYSA-N 1 0 310.466 5.017 50 0 DKAARO CC(C)[NH2+]Cc1cc2ccc(Cl)cc2nc1-c1ccsc1 ZINC000012247791 563365637 /nfs/dbraw/zinc/36/56/37/563365637.db2.gz UDNMSNDNLYVYHQ-UHFFFAOYSA-N 1 0 316.857 5.115 50 0 DKAARO Cc1ccccc1[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000012586314 568417369 /nfs/dbraw/zinc/41/73/69/568417369.db2.gz WNMHTSBDKQEPOL-PGRDOPGGSA-N 1 0 301.433 5.435 50 0 DKAARO CCC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1CC ZINC000013514023 563773851 /nfs/dbraw/zinc/77/38/51/563773851.db2.gz PKBJXKBRDPQZEK-LRSLUSHPSA-N 1 0 323.480 5.020 50 0 DKAARO CC(C)CC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013724084 181883981 /nfs/dbraw/zinc/88/39/81/181883981.db2.gz YXRWBQJKLCESRU-UHFFFAOYSA-N 1 0 317.860 5.055 50 0 DKAARO CC(C)CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013724096 563387395 /nfs/dbraw/zinc/38/73/95/563387395.db2.gz CQEDEMFOKXYDKR-UHFFFAOYSA-N 1 0 317.860 5.055 50 0 DKAARO CC(C)CC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013724537 563387951 /nfs/dbraw/zinc/38/79/51/563387951.db2.gz ZSIJMPVRGDAOMY-UHFFFAOYSA-N 1 0 317.860 5.055 50 0 DKAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013724603 563388325 /nfs/dbraw/zinc/38/83/25/563388325.db2.gz HIRSKUAYQPSHPB-UHFFFAOYSA-N 1 0 317.860 5.197 50 0 DKAARO Cc1ccc(Nc2ccccc/c2=[NH+]\c2ccc(C)cc2)cc1 ZINC000013756734 563388920 /nfs/dbraw/zinc/38/89/20/563388920.db2.gz YHQOCQQKIRBGOE-UHFFFAOYSA-N 1 0 300.405 5.279 50 0 DKAARO c1ccc(C([NH2+]Cc2cccc3cccnc32)c2ccccc2)cc1 ZINC000014901495 563673136 /nfs/dbraw/zinc/67/31/36/563673136.db2.gz USPIOQMINSRQNR-UHFFFAOYSA-N 1 0 324.427 5.114 50 0 DKAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCC[C@@H](C)C1 ZINC000014975924 563404855 /nfs/dbraw/zinc/40/48/55/563404855.db2.gz TURYWZRWOFDXLU-OAHLLOKOSA-N 1 0 320.436 5.035 50 0 DKAARO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCC[C@H](C)C1 ZINC000014975926 563404870 /nfs/dbraw/zinc/40/48/70/563404870.db2.gz TURYWZRWOFDXLU-HNNXBMFYSA-N 1 0 320.436 5.035 50 0 DKAARO c1ccc(C[n+]2ccc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000015769709 182015396 /nfs/dbraw/zinc/01/53/96/182015396.db2.gz KQDSKSJEAITHBP-UHFFFAOYSA-N 1 0 322.431 5.356 50 0 DKAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015836716 182020636 /nfs/dbraw/zinc/02/06/36/182020636.db2.gz VEUBRQLUSBANPF-LJQANCHMSA-N 1 0 315.844 5.076 50 0 DKAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000015836719 182020591 /nfs/dbraw/zinc/02/05/91/182020591.db2.gz VEUBRQLUSBANPF-IBGZPJMESA-N 1 0 315.844 5.076 50 0 DKAARO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)c1 ZINC000015836828 182020546 /nfs/dbraw/zinc/02/05/46/182020546.db2.gz FWZQEYTWFPPBJG-OAQYLSRUSA-N 1 0 309.453 5.119 50 0 DKAARO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)c1 ZINC000015836831 182020482 /nfs/dbraw/zinc/02/04/82/182020482.db2.gz FWZQEYTWFPPBJG-NRFANRHFSA-N 1 0 309.453 5.119 50 0 DKAARO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015837389 182020459 /nfs/dbraw/zinc/02/04/59/182020459.db2.gz VGGUXBJBUCOJID-KRWDZBQOSA-N 1 0 323.333 5.182 50 0 DKAARO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015837393 182020416 /nfs/dbraw/zinc/02/04/16/182020416.db2.gz VGGUXBJBUCOJID-QGZVFWFLSA-N 1 0 323.333 5.182 50 0 DKAARO c1ccc(COc2ccc(C[NH2+]C3CCCCCC3)cc2)cc1 ZINC000016480400 182046898 /nfs/dbraw/zinc/04/68/98/182046898.db2.gz FYNSPEWPWHYWTI-UHFFFAOYSA-N 1 0 309.453 5.078 50 0 DKAARO Clc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000016493167 182047487 /nfs/dbraw/zinc/04/74/87/182047487.db2.gz STTKPYJNLOSPCB-UHFFFAOYSA-N 1 0 307.824 5.297 50 0 DKAARO C[C@@H]([NH2+]Cc1cccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576214 182049699 /nfs/dbraw/zinc/04/96/99/182049699.db2.gz OEAQUNWUPZNQGO-DNBYOKIBSA-N 1 0 319.492 5.534 50 0 DKAARO C[C@H]([NH2+]Cc1cccc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000016576216 182049944 /nfs/dbraw/zinc/04/99/44/182049944.db2.gz OEAQUNWUPZNQGO-LXGFQCHUSA-N 1 0 319.492 5.534 50 0 DKAARO c1ccc(Oc2cccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)c2)cc1 ZINC000016662779 182056640 /nfs/dbraw/zinc/05/66/40/182056640.db2.gz XKNVBYIFCUFQJA-SIKLNZKXSA-N 1 0 321.464 5.634 50 0 DKAARO c1ccc(Oc2cccc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)c2)cc1 ZINC000016662782 182056814 /nfs/dbraw/zinc/05/68/14/182056814.db2.gz XKNVBYIFCUFQJA-DENIHFKCSA-N 1 0 321.464 5.634 50 0 DKAARO c1ccc(Oc2cccc(C[N@@H+]3CCc4ccccc4C3)c2)cc1 ZINC000019536613 182129312 /nfs/dbraw/zinc/12/93/12/182129312.db2.gz HHIAYBJWTPMSIB-UHFFFAOYSA-N 1 0 315.416 5.037 50 0 DKAARO CC(C)(C)[NH2+]CCOc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000019737848 182141182 /nfs/dbraw/zinc/14/11/82/182141182.db2.gz DMVXVFGSAMCLRL-UHFFFAOYSA-N 1 0 305.506 5.049 50 0 DKAARO CC[C@H](C)c1ccccc1O[C@@H](CC)C[NH2+]C1CCCCC1 ZINC000019737927 182141348 /nfs/dbraw/zinc/14/13/48/182141348.db2.gz LZOMMCGEERXUJD-WMZOPIPTSA-N 1 0 303.490 5.280 50 0 DKAARO CC[C@H](C[NH2+]C1CCCCC1)Oc1ccccc1[C@@H](C)CC ZINC000019737928 182141297 /nfs/dbraw/zinc/14/12/97/182141297.db2.gz LZOMMCGEERXUJD-FUHWJXTLSA-N 1 0 303.490 5.280 50 0 DKAARO CC[C@@H](C)c1ccccc1O[C@@H](CC)C[NH2+]C1CCCCC1 ZINC000019737929 182141113 /nfs/dbraw/zinc/14/11/13/182141113.db2.gz LZOMMCGEERXUJD-AEFFLSMTSA-N 1 0 303.490 5.280 50 0 DKAARO CC[C@@H](C)c1ccccc1O[C@H](CC)C[NH2+]C1CCCCC1 ZINC000019737930 182141158 /nfs/dbraw/zinc/14/11/58/182141158.db2.gz LZOMMCGEERXUJD-SJLPKXTDSA-N 1 0 303.490 5.280 50 0 DKAARO Fc1ccccc1C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020169537 563417086 /nfs/dbraw/zinc/41/70/86/563417086.db2.gz FXYJSGMBMJBPBX-UHFFFAOYSA-N 1 0 319.423 5.071 50 0 DKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCc2ccccc2Cl)o1 ZINC000022077617 182308506 /nfs/dbraw/zinc/30/85/06/182308506.db2.gz URHPKYXPRQPUHJ-AWEZNQCLSA-N 1 0 319.876 5.130 50 0 DKAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCc2ccccc2Cl)o1 ZINC000022077620 182308524 /nfs/dbraw/zinc/30/85/24/182308524.db2.gz URHPKYXPRQPUHJ-CQSZACIVSA-N 1 0 319.876 5.130 50 0 DKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000022077630 563448997 /nfs/dbraw/zinc/44/89/97/563448997.db2.gz OKNKKDYHEQNPKA-KRWDZBQOSA-N 1 0 311.469 5.036 50 0 DKAARO Cc1ccc([C@H](C)CC[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000022077632 563449147 /nfs/dbraw/zinc/44/91/47/563449147.db2.gz OKNKKDYHEQNPKA-QGZVFWFLSA-N 1 0 311.469 5.036 50 0 DKAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(C=Cc4ccccc43)CC2)o1 ZINC000022077776 563449099 /nfs/dbraw/zinc/44/90/99/563449099.db2.gz WJTQSKVFQUIYLG-KRWDZBQOSA-N 1 0 321.464 5.142 50 0 DKAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(C=Cc4ccccc43)CC2)o1 ZINC000022077783 563449133 /nfs/dbraw/zinc/44/91/33/563449133.db2.gz WJTQSKVFQUIYLG-QGZVFWFLSA-N 1 0 321.464 5.142 50 0 DKAARO Clc1ccc(-c2ccc(C[N@@H+]3CCc4ccccc4C3)o2)cc1 ZINC000023280524 563448678 /nfs/dbraw/zinc/44/86/78/563448678.db2.gz CSENXGDKPYQEDY-UHFFFAOYSA-N 1 0 323.823 5.158 50 0 DKAARO COc1ccc2cc(C[NH2+][C@@H]3CCCc4ccccc43)ccc2c1 ZINC000025259646 563726075 /nfs/dbraw/zinc/72/60/75/563726075.db2.gz NRFLOXVWBLBJOH-JOCHJYFZSA-N 1 0 317.432 5.016 50 0 DKAARO COc1ccc2cc(C[NH2+][C@H]3CCCc4ccccc43)ccc2c1 ZINC000025259650 563725937 /nfs/dbraw/zinc/72/59/37/563725937.db2.gz NRFLOXVWBLBJOH-QFIPXVFZSA-N 1 0 317.432 5.016 50 0 DKAARO C[n+]1c(/C=C/c2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000025691895 563961741 /nfs/dbraw/zinc/96/17/41/563961741.db2.gz VDDOEHLSGGZPRC-VAWYXSNFSA-N 1 0 315.223 5.142 50 0 DKAARO CCc1c(C)[nH]c(C2=C/C(=C3\[NH+]=C(C)C(CC)=C3C)CCC2)c1C ZINC000025757074 568412790 /nfs/dbraw/zinc/41/27/90/568412790.db2.gz ADMDLBDYDULKMP-PYCFMQQDSA-N 1 0 322.496 6.216 50 0 DKAARO FC(F)(F)c1cccc(Nc2ccnc3ccc(Cl)cc32)c1 ZINC000032604933 563370742 /nfs/dbraw/zinc/37/07/42/563370742.db2.gz XWBRTNUZVMSGNU-UHFFFAOYSA-N 1 0 322.717 5.651 50 0 DKAARO Cc1cc(C[NH2+][C@H](C)c2cccc3ccccc32)cc(C)c1O ZINC000032735878 563388863 /nfs/dbraw/zinc/38/88/63/563388863.db2.gz XJMMEGSOMTVLJX-MRXNPFEDSA-N 1 0 305.421 5.013 50 0 DKAARO Cc1cc(C[NH2+][C@@H](C)c2cccc3ccccc32)cc(C)c1O ZINC000032735879 563389027 /nfs/dbraw/zinc/38/90/27/563389027.db2.gz XJMMEGSOMTVLJX-INIZCTEOSA-N 1 0 305.421 5.013 50 0 DKAARO CCc1cccc2c(C[NH2+][C@H](c3ccccc3)C(C)C)c[nH]c21 ZINC000032750800 563389319 /nfs/dbraw/zinc/38/93/19/563389319.db2.gz JTYPMMCDDQDILG-FQEVSTJZSA-N 1 0 306.453 5.217 50 0 DKAARO CCc1cccc2c(C[NH2+][C@@H](c3ccccc3)C(C)C)c[nH]c21 ZINC000032750802 182659306 /nfs/dbraw/zinc/65/93/06/182659306.db2.gz JTYPMMCDDQDILG-HXUWFJFHSA-N 1 0 306.453 5.217 50 0 DKAARO COc1ccc([C@@H]([NH2+]Cc2cccc3ccccc32)C2CC2)cc1 ZINC000032845186 563401518 /nfs/dbraw/zinc/40/15/18/563401518.db2.gz YPIVZVYJPRRINR-QFIPXVFZSA-N 1 0 317.432 5.089 50 0 DKAARO COc1ccc([C@H]([NH2+]Cc2cccc3ccccc32)C2CC2)cc1 ZINC000032845188 182671485 /nfs/dbraw/zinc/67/14/85/182671485.db2.gz YPIVZVYJPRRINR-JOCHJYFZSA-N 1 0 317.432 5.089 50 0 DKAARO Fc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1F ZINC000033087052 563443721 /nfs/dbraw/zinc/44/37/21/563443721.db2.gz CEFNEASFTJKHEJ-MRXNPFEDSA-N 1 0 307.409 5.144 50 0 DKAARO Fc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1F ZINC000033087053 563444451 /nfs/dbraw/zinc/44/44/51/563444451.db2.gz CEFNEASFTJKHEJ-INIZCTEOSA-N 1 0 307.409 5.144 50 0 DKAARO Fc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1F ZINC000033087120 563444231 /nfs/dbraw/zinc/44/42/31/563444231.db2.gz LJORUBFYJRFSAC-OAHLLOKOSA-N 1 0 307.409 5.144 50 0 DKAARO Fc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1F ZINC000033087121 563444426 /nfs/dbraw/zinc/44/44/26/563444426.db2.gz LJORUBFYJRFSAC-HNNXBMFYSA-N 1 0 307.409 5.144 50 0 DKAARO CSc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087184 563443970 /nfs/dbraw/zinc/44/39/70/563443970.db2.gz QQPRDMPTVRVUMU-QGZVFWFLSA-N 1 0 317.523 5.587 50 0 DKAARO CSc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087185 563444319 /nfs/dbraw/zinc/44/43/19/563444319.db2.gz QQPRDMPTVRVUMU-KRWDZBQOSA-N 1 0 317.523 5.587 50 0 DKAARO Clc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087198 563444409 /nfs/dbraw/zinc/44/44/09/563444409.db2.gz IRKLGVZHQKWXST-MRXNPFEDSA-N 1 0 305.874 5.519 50 0 DKAARO Clc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087199 563444118 /nfs/dbraw/zinc/44/41/18/563444118.db2.gz IRKLGVZHQKWXST-INIZCTEOSA-N 1 0 305.874 5.519 50 0 DKAARO Cc1ccsc1[C@@H]1CCCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000033087200 563444180 /nfs/dbraw/zinc/44/41/80/563444180.db2.gz YIOWOWZCWFUMDM-KRWDZBQOSA-N 1 0 319.901 5.827 50 0 DKAARO Cc1ccsc1[C@H]1CCCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000033087201 563444307 /nfs/dbraw/zinc/44/43/07/563444307.db2.gz YIOWOWZCWFUMDM-QGZVFWFLSA-N 1 0 319.901 5.827 50 0 DKAARO CCOc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087266 563443851 /nfs/dbraw/zinc/44/38/51/563443851.db2.gz VURSUXALYDVTGA-QGZVFWFLSA-N 1 0 315.482 5.264 50 0 DKAARO CCOc1ccccc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087267 563444060 /nfs/dbraw/zinc/44/40/60/563444060.db2.gz VURSUXALYDVTGA-KRWDZBQOSA-N 1 0 315.482 5.264 50 0 DKAARO Fc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c(F)c1 ZINC000033087282 563444190 /nfs/dbraw/zinc/44/41/90/563444190.db2.gz ZZAWGARLQYGEDW-MRXNPFEDSA-N 1 0 307.409 5.144 50 0 DKAARO Fc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c(F)c1 ZINC000033087283 563444367 /nfs/dbraw/zinc/44/43/67/563444367.db2.gz ZZAWGARLQYGEDW-INIZCTEOSA-N 1 0 307.409 5.144 50 0 DKAARO Clc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087318 563444439 /nfs/dbraw/zinc/44/44/39/563444439.db2.gz QSIWTEZWQXEBFL-MRXNPFEDSA-N 1 0 305.874 5.519 50 0 DKAARO Clc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087319 563444281 /nfs/dbraw/zinc/44/42/81/563444281.db2.gz QSIWTEZWQXEBFL-INIZCTEOSA-N 1 0 305.874 5.519 50 0 DKAARO Clc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087324 563444847 /nfs/dbraw/zinc/44/48/47/563444847.db2.gz HXECSOHHZCQJPL-MRXNPFEDSA-N 1 0 305.874 5.519 50 0 DKAARO Clc1ccccc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087325 563444862 /nfs/dbraw/zinc/44/48/62/563444862.db2.gz HXECSOHHZCQJPL-INIZCTEOSA-N 1 0 305.874 5.519 50 0 DKAARO Cc1c[nH]c(C2=CC3=C/C(=C4\[NH+]=CC(C)=C4C)CC[C@@H]3CC2)c1C ZINC000033404160 563445691 /nfs/dbraw/zinc/44/56/91/563445691.db2.gz QXQWTJZWQRKEKP-UBZKEQBWSA-N 1 0 318.464 5.820 50 0 DKAARO Cc1c[nH]c(C2=CC3=C/C(=C4\[NH+]=CC(C)=C4C)CC[C@H]3CC2)c1C ZINC000033404161 563445720 /nfs/dbraw/zinc/44/57/20/563445720.db2.gz QXQWTJZWQRKEKP-LLWUOSFCSA-N 1 0 318.464 5.820 50 0 DKAARO C[NH2+][C@H](C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000033977992 563847243 /nfs/dbraw/zinc/84/72/43/563847243.db2.gz HYLYTRKKGFVHIE-SECBINFHSA-N 1 0 314.187 5.205 50 0 DKAARO C[NH2+][C@@H](C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000033977993 563847396 /nfs/dbraw/zinc/84/73/96/563847396.db2.gz HYLYTRKKGFVHIE-VIFPVBQESA-N 1 0 314.187 5.205 50 0 DKAARO Cc1cccc(-c2cc3cccc[n+]3cc2-c2cccc(C)c2)c1 ZINC000034068822 563619716 /nfs/dbraw/zinc/61/97/16/563619716.db2.gz KHGIZDGEYSSBHT-UHFFFAOYSA-N 1 0 310.420 5.376 50 0 DKAARO Cc1cccc(C)c1/C=C/C1CC[NH+](Cc2ccccc2)CC1 ZINC000034151309 182730980 /nfs/dbraw/zinc/73/09/80/182730980.db2.gz VVFXYNZQEHKQIT-VAWYXSNFSA-N 1 0 305.465 5.229 50 0 DKAARO C[NH2+][C@H](C)c1ccc(Sc2ccc(C(C)C)cc2)c(F)c1 ZINC000034666627 563451440 /nfs/dbraw/zinc/45/14/40/563451440.db2.gz QKDJHEBYGIBDDN-CYBMUJFWSA-N 1 0 303.446 5.381 50 0 DKAARO C[NH2+][C@@H](C)c1ccc(Sc2ccc(C(C)C)cc2)c(F)c1 ZINC000034666628 563451425 /nfs/dbraw/zinc/45/14/25/563451425.db2.gz QKDJHEBYGIBDDN-ZDUSSCGKSA-N 1 0 303.446 5.381 50 0 DKAARO C[N@H+](Cc1ccccc1)Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000034670331 563311280 /nfs/dbraw/zinc/31/12/80/563311280.db2.gz NJRKWIQMVHEEMX-UHFFFAOYSA-N 1 0 322.839 5.034 50 0 DKAARO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c(C)s1 ZINC000037099544 563906133 /nfs/dbraw/zinc/90/61/33/563906133.db2.gz AKEYLSILDWQOSZ-LEWSCRJBSA-N 1 0 305.409 5.137 50 0 DKAARO Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)c(C)s1 ZINC000037099546 563906173 /nfs/dbraw/zinc/90/61/73/563906173.db2.gz AKEYLSILDWQOSZ-BPNCWPANSA-N 1 0 305.409 5.137 50 0 DKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@@H]1c1ccc(C(C)C)cc1 ZINC000037522393 563918315 /nfs/dbraw/zinc/91/83/15/563918315.db2.gz QVEZDMIOBYJHHX-QFIPXVFZSA-N 1 0 324.512 5.453 50 0 DKAARO CC(C)CC[N@@H+]1CCCn2cccc2[C@H]1c1ccc(C(C)C)cc1 ZINC000037522394 563918237 /nfs/dbraw/zinc/91/82/37/563918237.db2.gz QVEZDMIOBYJHHX-JOCHJYFZSA-N 1 0 324.512 5.453 50 0 DKAARO CCCC[N@@H+]1CCCn2cccc2[C@@H]1c1cc(C)c(C)cc1C ZINC000037523561 563918227 /nfs/dbraw/zinc/91/82/27/563918227.db2.gz JZRNVWRPUHRZFZ-NRFANRHFSA-N 1 0 310.485 5.009 50 0 DKAARO CCCC[N@@H+]1CCCn2cccc2[C@H]1c1cc(C)c(C)cc1C ZINC000037523562 563918338 /nfs/dbraw/zinc/91/83/38/563918338.db2.gz JZRNVWRPUHRZFZ-OAQYLSRUSA-N 1 0 310.485 5.009 50 0 DKAARO CC1CC[NH+](Cc2cncc(-c3ccc4ccccc4c3)c2)CC1 ZINC000037553843 563918761 /nfs/dbraw/zinc/91/87/61/563918761.db2.gz NOQWUGWNJYQOAT-UHFFFAOYSA-N 1 0 316.448 5.134 50 0 DKAARO CC[NH+](CC)Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553847 563918763 /nfs/dbraw/zinc/91/87/63/563918763.db2.gz YORXYMVNQHEVGI-UHFFFAOYSA-N 1 0 316.448 5.257 50 0 DKAARO Clc1ccc(-c2cncc(C[NH+]3CCCCC3)c2)cc1Cl ZINC000037553892 563597284 /nfs/dbraw/zinc/59/72/84/563597284.db2.gz CHSVELYFSKDGKQ-UHFFFAOYSA-N 1 0 321.251 5.041 50 0 DKAARO c1ccc(-c2ccc(-c3cncc(C[NH+]4CCCC4)c3)cc2)cc1 ZINC000037554181 563918722 /nfs/dbraw/zinc/91/87/22/563918722.db2.gz AAMLRMLWYVPGQT-UHFFFAOYSA-N 1 0 314.432 5.011 50 0 DKAARO Cc1cc(C)cc(-c2cncc(C[N@@H+](C)C3CCCCC3)c2)c1 ZINC000037554233 563918657 /nfs/dbraw/zinc/91/86/57/563918657.db2.gz ACLFNAZZMIGKCY-UHFFFAOYSA-N 1 0 308.469 5.130 50 0 DKAARO Clc1c2ccccc2sc1C[NH2+][C@H]1CCc2ccccc21 ZINC000037979296 563895123 /nfs/dbraw/zinc/89/51/23/563895123.db2.gz NBLXAUSVGOGPQN-HNNXBMFYSA-N 1 0 313.853 5.332 50 0 DKAARO Clc1c2ccccc2sc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000037979297 182949956 /nfs/dbraw/zinc/94/99/56/182949956.db2.gz NBLXAUSVGOGPQN-OAHLLOKOSA-N 1 0 313.853 5.332 50 0 DKAARO CC1=[N+](C)c2ccc3ccccc3c2[C@@]1(C)Cc1ccccc1 ZINC000038490584 183000144 /nfs/dbraw/zinc/00/01/44/183000144.db2.gz GMBBKRSBTVEQKQ-QFIPXVFZSA-N 1 0 300.425 5.089 50 0 DKAARO CC1=[N+](C)c2ccc3ccccc3c2[C@]1(C)Cc1ccccc1 ZINC000038490586 183000312 /nfs/dbraw/zinc/00/03/12/183000312.db2.gz GMBBKRSBTVEQKQ-JOCHJYFZSA-N 1 0 300.425 5.089 50 0 DKAARO CCOP(=O)(CCCCCCCCCCCC[NH3+])OCC ZINC000039337617 183016920 /nfs/dbraw/zinc/01/69/20/183016920.db2.gz QNUXHOLXFCDFFZ-UHFFFAOYSA-N 1 0 321.442 5.112 50 0 DKAARO CC(C)C[C@H]([NH+](C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000039391132 563744260 /nfs/dbraw/zinc/74/42/60/563744260.db2.gz AYHHTXUMSBRQFM-INIZCTEOSA-N 1 0 314.300 5.391 50 0 DKAARO CC(C)C[C@@H]([NH+](C)C)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000039391133 563744366 /nfs/dbraw/zinc/74/43/66/563744366.db2.gz AYHHTXUMSBRQFM-MRXNPFEDSA-N 1 0 314.300 5.391 50 0 DKAARO Cc1cc(Nc2ccccc2Br)c2ccccc2[nH+]1 ZINC000040400777 183061502 /nfs/dbraw/zinc/06/15/02/183061502.db2.gz LHQSHECERQQKTD-UHFFFAOYSA-N 1 0 313.198 5.049 50 0 DKAARO Clc1cc(Cl)c(OCC[C@@H]2CCCC[NH2+]2)c2ccccc12 ZINC000042770313 183306903 /nfs/dbraw/zinc/30/69/03/183306903.db2.gz WSRCWVIUOYMSLG-LBPRGKRZSA-N 1 0 324.251 5.058 50 0 DKAARO Clc1cc(Cl)c(OCC[C@H]2CCCC[NH2+]2)c2ccccc12 ZINC000042770317 183307230 /nfs/dbraw/zinc/30/72/30/183307230.db2.gz WSRCWVIUOYMSLG-GFCCVEGCSA-N 1 0 324.251 5.058 50 0 DKAARO CC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)c(C(C)(C)C)c1 ZINC000042770466 183307124 /nfs/dbraw/zinc/30/71/24/183307124.db2.gz LVWLFCOQUZXELJ-UHFFFAOYSA-N 1 0 317.517 5.050 50 0 DKAARO CC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042770470 183306744 /nfs/dbraw/zinc/30/67/44/183306744.db2.gz XQLLGSRITOIDCR-INIZCTEOSA-N 1 0 317.517 5.050 50 0 DKAARO CC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(C(C)(C)C)c1 ZINC000042770474 183306722 /nfs/dbraw/zinc/30/67/22/183306722.db2.gz XQLLGSRITOIDCR-MRXNPFEDSA-N 1 0 317.517 5.050 50 0 DKAARO CC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000042770478 183306651 /nfs/dbraw/zinc/30/66/51/183306651.db2.gz IGZUGJDHUZNSTP-KRWDZBQOSA-N 1 0 317.517 5.193 50 0 DKAARO CC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000042770481 183306616 /nfs/dbraw/zinc/30/66/16/183306616.db2.gz IGZUGJDHUZNSTP-QGZVFWFLSA-N 1 0 317.517 5.193 50 0 DKAARO CC(C)(C)CC(C)(C)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042773152 183306996 /nfs/dbraw/zinc/30/69/96/183306996.db2.gz OLAJMYSYAHLCHM-UHFFFAOYSA-N 1 0 317.517 5.169 50 0 DKAARO CC(C)(C)CC(C)(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773155 183306856 /nfs/dbraw/zinc/30/68/56/183306856.db2.gz KMWRELVQDAYCQH-KRWDZBQOSA-N 1 0 317.517 5.169 50 0 DKAARO CC(C)(C)CC(C)(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773159 183306832 /nfs/dbraw/zinc/30/68/32/183306832.db2.gz KMWRELVQDAYCQH-QGZVFWFLSA-N 1 0 317.517 5.169 50 0 DKAARO CC(C)(C)CC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042773162 183307131 /nfs/dbraw/zinc/30/71/31/183307131.db2.gz XMHMPXRZVRCIDA-SFHVURJKSA-N 1 0 317.517 5.311 50 0 DKAARO CC(C)(C)CC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042773166 183306740 /nfs/dbraw/zinc/30/67/40/183306740.db2.gz XMHMPXRZVRCIDA-GOSISDBHSA-N 1 0 317.517 5.311 50 0 DKAARO CN(CCC(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C ZINC000044075624 183393631 /nfs/dbraw/zinc/39/36/31/183393631.db2.gz VGCWVKVNKNXOGZ-QZTJIDSGSA-N 1 0 310.570 5.034 50 0 DKAARO CN(CCC(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C ZINC000044075626 183393373 /nfs/dbraw/zinc/39/33/73/183393373.db2.gz VGCWVKVNKNXOGZ-ROUUACIJSA-N 1 0 310.570 5.034 50 0 DKAARO c1ccc([C@@H]2CCC(c3ccccc3)(c3ccccc3)C[NH2+]2)cc1 ZINC000044125246 183395700 /nfs/dbraw/zinc/39/57/00/183395700.db2.gz WTBAYJFOKKQQNS-QFIPXVFZSA-N 1 0 313.444 5.097 50 0 DKAARO c1ccc([C@H]2CCC(c3ccccc3)(c3ccccc3)C[NH2+]2)cc1 ZINC000044125250 183395726 /nfs/dbraw/zinc/39/57/26/183395726.db2.gz WTBAYJFOKKQQNS-JOCHJYFZSA-N 1 0 313.444 5.097 50 0 DKAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000048286107 563694840 /nfs/dbraw/zinc/69/48/40/563694840.db2.gz IUIXRXBXIBNAGF-KRWDZBQOSA-N 1 0 324.449 5.049 50 0 DKAARO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000048286109 563694677 /nfs/dbraw/zinc/69/46/77/563694677.db2.gz IUIXRXBXIBNAGF-QGZVFWFLSA-N 1 0 324.449 5.049 50 0 DKAARO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccccc1 ZINC000057303432 184032442 /nfs/dbraw/zinc/03/24/42/184032442.db2.gz WNMHTSBDKQEPOL-AVRDEDQJSA-N 1 0 301.433 5.435 50 0 DKAARO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000057303434 184032567 /nfs/dbraw/zinc/03/25/67/184032567.db2.gz WNMHTSBDKQEPOL-XMSQKQJNSA-N 1 0 301.433 5.435 50 0 DKAARO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccccc1)c1ccccc1 ZINC000057303437 184032805 /nfs/dbraw/zinc/03/28/05/184032805.db2.gz WNMHTSBDKQEPOL-GCJKJVERSA-N 1 0 301.433 5.435 50 0 DKAARO CC[N@H+](Cn1c2ccccc2sc1=S)C1CCCCC1 ZINC000057497545 184040432 /nfs/dbraw/zinc/04/04/32/184040432.db2.gz JXEXBBINRORTET-UHFFFAOYSA-N 1 0 306.500 5.044 50 0 DKAARO FC(F)(F)[C@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000057552155 184042229 /nfs/dbraw/zinc/04/22/29/184042229.db2.gz HZSFWLIGMYFESD-ZDUSSCGKSA-N 1 0 317.354 5.031 50 0 DKAARO FC(F)(F)[C@@H]1CCC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000057552159 184042033 /nfs/dbraw/zinc/04/20/33/184042033.db2.gz HZSFWLIGMYFESD-CYBMUJFWSA-N 1 0 317.354 5.031 50 0 DKAARO CCC(CC)c1cc[n+](C(c2ccccc2)c2ccccc2)cc1 ZINC000057940212 184063272 /nfs/dbraw/zinc/06/32/72/184063272.db2.gz UFJDCKGNMUMAED-UHFFFAOYSA-N 1 0 316.468 5.515 50 0 DKAARO Cc1noc(C)c1C[N@@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000058202660 184087562 /nfs/dbraw/zinc/08/75/62/184087562.db2.gz RSACCLYVKSRBMT-HNNXBMFYSA-N 1 0 320.436 5.170 50 0 DKAARO Cc1noc(C)c1C[N@@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000058202661 184087591 /nfs/dbraw/zinc/08/75/91/184087591.db2.gz RSACCLYVKSRBMT-OAHLLOKOSA-N 1 0 320.436 5.170 50 0 DKAARO c1c(C[NH2+]Cc2ccc(-c3ccccc3)cc2)[nH]c2ccccc12 ZINC000058474455 184119808 /nfs/dbraw/zinc/11/98/08/184119808.db2.gz XXNBEXXNZFHEKZ-UHFFFAOYSA-N 1 0 312.416 5.125 50 0 DKAARO Cc1cc(C)c([PH+](C2CCCCC2)C2CCCCC2)c(C)c1 ZINC000060290715 184145768 /nfs/dbraw/zinc/14/57/68/184145768.db2.gz FZMRUTAFFILQPI-UHFFFAOYSA-N 1 0 316.469 6.384 50 0 DKAARO Cc1cc(C[N@H+](Cc2cccc3ccccc32)C2CCCC2)no1 ZINC000060789334 184155834 /nfs/dbraw/zinc/15/58/34/184155834.db2.gz APLQOXWLNZFUGE-UHFFFAOYSA-N 1 0 320.436 5.081 50 0 DKAARO c1sc2ccccc2c1C[NH2+]Cc1csc2ccccc12 ZINC000061048626 184161094 /nfs/dbraw/zinc/16/10/94/184161094.db2.gz VUMQRKSZGDBSFA-UHFFFAOYSA-N 1 0 309.459 5.406 50 0 DKAARO Cc1ccc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)s1 ZINC000061107347 184162104 /nfs/dbraw/zinc/16/21/04/184162104.db2.gz JQAQHCXQOADCFA-UHFFFAOYSA-N 1 0 309.434 5.139 50 0 DKAARO CC(C)c1ccc([PH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000071772021 563500740 /nfs/dbraw/zinc/50/07/40/563500740.db2.gz NPDGEUFCMFKRER-UHFFFAOYSA-N 1 0 316.469 6.583 50 0 DKAARO CC(C)c1cccc(C(C)C)c1-[n+]1csc2c1CCCCC2 ZINC000071773557 184840373 /nfs/dbraw/zinc/84/03/73/184840373.db2.gz XRZSJHYXCRWPRI-UHFFFAOYSA-N 1 0 314.518 5.541 50 0 DKAARO C[NH+](C)Cc1ccccc1Sc1cc(Cl)ccc1Cl ZINC000075251251 563861659 /nfs/dbraw/zinc/86/16/59/563861659.db2.gz BCXSOXBINURDMW-UHFFFAOYSA-N 1 0 312.265 5.206 50 0 DKAARO C[N@@H+]1CCCC[C@@H]1c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000075273597 563862142 /nfs/dbraw/zinc/86/21/42/563862142.db2.gz BOZUOQUXGHKAHZ-GOSISDBHSA-N 1 0 320.263 5.817 50 0 DKAARO C[N@@H+]1CCCC[C@H]1c1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000075273601 563862186 /nfs/dbraw/zinc/86/21/86/563862186.db2.gz BOZUOQUXGHKAHZ-SFHVURJKSA-N 1 0 320.263 5.817 50 0 DKAARO C[NH+](C)Cc1ccccc1Sc1ccc(Cl)c(Cl)c1 ZINC000075373242 563864796 /nfs/dbraw/zinc/86/47/96/563864796.db2.gz MLPCCMLJBNELIY-UHFFFAOYSA-N 1 0 312.265 5.206 50 0 DKAARO Cc1cc(NCCCn2ccc3ccccc32)c2ccccc2[nH+]1 ZINC000089583196 563891253 /nfs/dbraw/zinc/89/12/53/563891253.db2.gz QTZAONFCJPKTPU-UHFFFAOYSA-N 1 0 315.420 5.000 50 0 DKAARO Cc1ncsc1[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000090114955 185282763 /nfs/dbraw/zinc/28/27/63/185282763.db2.gz XYGUGXAHJXBULH-GDJRKYJOSA-N 1 0 320.889 5.153 50 0 DKAARO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)s1 ZINC000090403430 563870276 /nfs/dbraw/zinc/87/02/76/563870276.db2.gz RTQIJIIQMWLBBH-QWHCGFSZSA-N 1 0 302.487 5.161 50 0 DKAARO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(C(C)(C)C)cc2)s1 ZINC000090403433 563870513 /nfs/dbraw/zinc/87/05/13/563870513.db2.gz RTQIJIIQMWLBBH-STQMWFEESA-N 1 0 302.487 5.161 50 0 DKAARO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)s1 ZINC000090403435 563870587 /nfs/dbraw/zinc/87/05/87/563870587.db2.gz RTQIJIIQMWLBBH-CHWSQXEVSA-N 1 0 302.487 5.161 50 0 DKAARO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(C(C)(C)C)cc2)s1 ZINC000090403436 563870480 /nfs/dbraw/zinc/87/04/80/563870480.db2.gz RTQIJIIQMWLBBH-OLZOCXBDSA-N 1 0 302.487 5.161 50 0 DKAARO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)s2)s1 ZINC000092374340 563882782 /nfs/dbraw/zinc/88/27/82/563882782.db2.gz IHFSHKXSDUTSNS-CYBMUJFWSA-N 1 0 314.479 5.031 50 0 DKAARO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)s2)s1 ZINC000092374341 563882660 /nfs/dbraw/zinc/88/26/60/563882660.db2.gz IHFSHKXSDUTSNS-ZDUSSCGKSA-N 1 0 314.479 5.031 50 0 DKAARO C[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccc(C(F)(F)F)cc1 ZINC000093094194 563929916 /nfs/dbraw/zinc/92/99/16/563929916.db2.gz HHFONDVHTJVNRY-VIFPVBQESA-N 1 0 319.779 5.271 50 0 DKAARO C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccc(C(F)(F)F)cc1 ZINC000093094197 563929798 /nfs/dbraw/zinc/92/97/98/563929798.db2.gz HHFONDVHTJVNRY-SECBINFHSA-N 1 0 319.779 5.271 50 0 DKAARO CC(C)CC[C@@H](C)Nc1ccc(N[C@@H](C)CCC(C)C)cc1 ZINC000095866620 563530600 /nfs/dbraw/zinc/53/06/00/563530600.db2.gz ZJNLYGOUHDJHMG-HDICACEKSA-N 1 0 304.522 6.160 50 0 DKAARO Cc1cc([C@@H](C)[NH2+]Cc2cnc(C3CCCC3)s2)c(C)s1 ZINC000095970875 563933414 /nfs/dbraw/zinc/93/34/14/563933414.db2.gz NLIDVZMNJOEDAT-GFCCVEGCSA-N 1 0 320.527 5.330 50 0 DKAARO Cc1cc([C@H](C)[NH2+]Cc2cnc(C3CCCC3)s2)c(C)s1 ZINC000095970876 563933374 /nfs/dbraw/zinc/93/33/74/563933374.db2.gz NLIDVZMNJOEDAT-LBPRGKRZSA-N 1 0 320.527 5.330 50 0 DKAARO C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cl)cc1)c1ccccn1 ZINC000095980734 563933937 /nfs/dbraw/zinc/93/39/37/563933937.db2.gz AWYGXRFFYZOOHF-HNNXBMFYSA-N 1 0 322.839 5.253 50 0 DKAARO C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cl)cc1)c1ccccn1 ZINC000095980735 563933996 /nfs/dbraw/zinc/93/39/96/563933996.db2.gz AWYGXRFFYZOOHF-OAHLLOKOSA-N 1 0 322.839 5.253 50 0 DKAARO CC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(C)C)c1ccccc1 ZINC000095983698 563934029 /nfs/dbraw/zinc/93/40/29/563934029.db2.gz ICEOCUNRNWTVGU-WMZOPIPTSA-N 1 0 321.468 5.419 50 0 DKAARO CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(C)C)c1ccccc1 ZINC000095983699 563933930 /nfs/dbraw/zinc/93/39/30/563933930.db2.gz ICEOCUNRNWTVGU-FUHWJXTLSA-N 1 0 321.468 5.419 50 0 DKAARO CC[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C(C)C)c1ccccc1 ZINC000095983700 563933960 /nfs/dbraw/zinc/93/39/60/563933960.db2.gz ICEOCUNRNWTVGU-AEFFLSMTSA-N 1 0 321.468 5.419 50 0 DKAARO CC[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C(C)C)c1ccccc1 ZINC000095983701 563933861 /nfs/dbraw/zinc/93/38/61/563933861.db2.gz ICEOCUNRNWTVGU-SJLPKXTDSA-N 1 0 321.468 5.419 50 0 DKAARO C[NH+](C)[C@@H](CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000096026443 563935098 /nfs/dbraw/zinc/93/50/98/563935098.db2.gz CIMMFSJMTAYXDT-QHCPKHFHSA-N 1 0 315.460 5.512 50 0 DKAARO C[NH+](C)[C@H](CC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000096026444 563935099 /nfs/dbraw/zinc/93/50/99/563935099.db2.gz CIMMFSJMTAYXDT-HSZRJFAPSA-N 1 0 315.460 5.512 50 0 DKAARO c1ccc([C@@H](C[NH+]2CCCC2)Oc2cccc3ccccc32)cc1 ZINC000096027037 563935042 /nfs/dbraw/zinc/93/50/42/563935042.db2.gz JTLOTESMRPEQMV-JOCHJYFZSA-N 1 0 317.432 5.056 50 0 DKAARO c1ccc([C@H](C[NH+]2CCCC2)Oc2cccc3ccccc32)cc1 ZINC000096027038 563935192 /nfs/dbraw/zinc/93/51/92/563935192.db2.gz JTLOTESMRPEQMV-QFIPXVFZSA-N 1 0 317.432 5.056 50 0 DKAARO c1ccc([C@@H](C[NH+]2CCCC2)Oc2ccc3ccccc3c2)cc1 ZINC000096027039 563935131 /nfs/dbraw/zinc/93/51/31/563935131.db2.gz JSSYWRMYJXTFOG-JOCHJYFZSA-N 1 0 317.432 5.056 50 0 DKAARO c1ccc([C@H](C[NH+]2CCCC2)Oc2ccc3ccccc3c2)cc1 ZINC000096027040 563935108 /nfs/dbraw/zinc/93/51/08/563935108.db2.gz JSSYWRMYJXTFOG-QFIPXVFZSA-N 1 0 317.432 5.056 50 0 DKAARO c1ccc(OCCC[NH+]2CCC(CC3CCCCC3)CC2)cc1 ZINC000096027168 563935106 /nfs/dbraw/zinc/93/51/06/563935106.db2.gz ISDMEKHSSMAFGB-UHFFFAOYSA-N 1 0 315.501 5.138 50 0 DKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000096027617 563935142 /nfs/dbraw/zinc/93/51/42/563935142.db2.gz BWQCOHRVHXDDDT-KDURUIRLSA-N 1 0 323.480 5.056 50 0 DKAARO C[C@H]1CCC[C@H](C)[NH+]1CCOC(c1ccccc1)c1ccccc1 ZINC000096027618 563935117 /nfs/dbraw/zinc/93/51/17/563935117.db2.gz BWQCOHRVHXDDDT-OALUTQOASA-N 1 0 323.480 5.056 50 0 DKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCOC(c1ccccc1)c1ccccc1 ZINC000096027619 563935073 /nfs/dbraw/zinc/93/50/73/563935073.db2.gz BWQCOHRVHXDDDT-RTBURBONSA-N 1 0 323.480 5.056 50 0 DKAARO C[N@H+](Cc1ccccc1)C(C)(C)Cc1cccc(C(F)(F)F)c1 ZINC000096027730 563935017 /nfs/dbraw/zinc/93/50/17/563935017.db2.gz DEFIKXGSFSNLOD-UHFFFAOYSA-N 1 0 321.386 5.159 50 0 DKAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCC=C(c1ccccc1)c1ccccc1 ZINC000096027796 563935031 /nfs/dbraw/zinc/93/50/31/563935031.db2.gz UOSLRCMDNGAFDM-BGYRXZFFSA-N 1 0 319.492 5.771 50 0 DKAARO C[C@H]1CCC[C@H](C)[NH+]1CCC=C(c1ccccc1)c1ccccc1 ZINC000096027797 563935359 /nfs/dbraw/zinc/93/53/59/563935359.db2.gz UOSLRCMDNGAFDM-PMACEKPBSA-N 1 0 319.492 5.771 50 0 DKAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCC=C(c1ccccc1)c1ccccc1 ZINC000096027798 563935312 /nfs/dbraw/zinc/93/53/12/563935312.db2.gz UOSLRCMDNGAFDM-WOJBJXKFSA-N 1 0 319.492 5.771 50 0 DKAARO C[C@@H](c1cccc(-c2ccc(OC(F)F)cc2)c1)[NH+]1CCCC1 ZINC000096148778 563534195 /nfs/dbraw/zinc/53/41/95/563534195.db2.gz XXECWCLBXKAWSL-AWEZNQCLSA-N 1 0 317.379 5.112 50 0 DKAARO C[C@H](c1cccc(-c2ccc(OC(F)F)cc2)c1)[NH+]1CCCC1 ZINC000096148779 563534210 /nfs/dbraw/zinc/53/42/10/563534210.db2.gz XXECWCLBXKAWSL-CQSZACIVSA-N 1 0 317.379 5.112 50 0 DKAARO CC(C)c1ccc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000097001081 185396205 /nfs/dbraw/zinc/39/62/05/185396205.db2.gz UENOXPXWMFVIDT-QFIPXVFZSA-N 1 0 316.448 5.084 50 0 DKAARO CC(C)c1ccc(C[NH2+][C@H](c2ccccc2)c2cccnc2)cc1 ZINC000097001083 185396220 /nfs/dbraw/zinc/39/62/20/185396220.db2.gz UENOXPXWMFVIDT-JOCHJYFZSA-N 1 0 316.448 5.084 50 0 DKAARO CC[C@](C)([NH2+]Cc1cc2ccccc2s1)c1nc(C)cs1 ZINC000097014427 185397117 /nfs/dbraw/zinc/39/71/17/185397117.db2.gz YCENSHYVEPZSSC-KRWDZBQOSA-N 1 0 316.495 5.081 50 0 DKAARO CC[C@@](C)([NH2+]Cc1cc2ccccc2s1)c1nc(C)cs1 ZINC000097014430 185397264 /nfs/dbraw/zinc/39/72/64/185397264.db2.gz YCENSHYVEPZSSC-QGZVFWFLSA-N 1 0 316.495 5.081 50 0 DKAARO CC(C)C(C(=[NH2+])c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000101021151 563848599 /nfs/dbraw/zinc/84/85/99/563848599.db2.gz WIIJHUODCCUCAA-UHFFFAOYSA-N 1 0 313.444 5.697 50 0 DKAARO CC[C@]1(C)C[C@](CC[NH2+][C@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000102813256 563663245 /nfs/dbraw/zinc/66/32/45/563663245.db2.gz TWAQDSARJYWGDY-HMXCVIKNSA-N 1 0 317.517 5.349 50 0 biogenic DKAARO CC[C@]1(C)C[C@@](CC[NH2+][C@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000102813259 185422249 /nfs/dbraw/zinc/42/22/49/185422249.db2.gz TWAQDSARJYWGDY-NRSPTQNISA-N 1 0 317.517 5.349 50 0 biogenic DKAARO CC(C)(C)[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cccs1 ZINC000170083191 563903645 /nfs/dbraw/zinc/90/36/45/563903645.db2.gz XYABGEJJFMYHMW-GOSISDBHSA-N 1 0 310.466 5.173 50 0 DKAARO CC(C)(C)[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cccs1 ZINC000170083194 563903558 /nfs/dbraw/zinc/90/35/58/563903558.db2.gz XYABGEJJFMYHMW-SFHVURJKSA-N 1 0 310.466 5.173 50 0 DKAARO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000229912771 563773534 /nfs/dbraw/zinc/77/35/34/563773534.db2.gz KDUKYMOEZIVCGG-AZUAARDMSA-N 1 0 301.474 5.020 50 0 DKAARO C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1Cl ZINC000234424269 563421168 /nfs/dbraw/zinc/42/11/68/563421168.db2.gz OUOUIYPVXFQJGC-UHFFFAOYSA-N 1 0 316.615 5.159 50 0 DKAARO Cc1ncsc1[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000242263343 563519782 /nfs/dbraw/zinc/51/97/82/563519782.db2.gz XYGUGXAHJXBULH-PDUOOLKUSA-N 1 0 320.889 5.153 50 0 DKAARO Cc1ncsc1[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000242263344 563519543 /nfs/dbraw/zinc/51/95/43/563519543.db2.gz XYGUGXAHJXBULH-UDNPPVAFSA-N 1 0 320.889 5.153 50 0 DKAARO Cc1ncsc1[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000242263345 563519990 /nfs/dbraw/zinc/51/99/90/563519990.db2.gz XYGUGXAHJXBULH-WJCKQCIISA-N 1 0 320.889 5.153 50 0 DKAARO Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)c(C)s1 ZINC000249680142 563909630 /nfs/dbraw/zinc/90/96/30/563909630.db2.gz AKEYLSILDWQOSZ-GDLCADMTSA-N 1 0 305.409 5.137 50 0 DKAARO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)c(C)s1 ZINC000249680144 563909665 /nfs/dbraw/zinc/90/96/65/563909665.db2.gz AKEYLSILDWQOSZ-ZLKJLUDKSA-N 1 0 305.409 5.137 50 0 DKAARO CC(=O)c1sccc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000426668276 257244266 /nfs/dbraw/zinc/24/42/66/257244266.db2.gz IBDXACIFVSZGJS-AWEZNQCLSA-N 1 0 313.466 5.165 50 0 DKAARO CC(=O)c1sccc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000426668277 257244215 /nfs/dbraw/zinc/24/42/15/257244215.db2.gz IBDXACIFVSZGJS-CQSZACIVSA-N 1 0 313.466 5.165 50 0 DKAARO Fc1cccc(C2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1 ZINC000514260597 563328168 /nfs/dbraw/zinc/32/81/68/563328168.db2.gz PJAZVDHZFMQIDD-UHFFFAOYSA-N 1 0 317.407 5.015 50 0 DKAARO