smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCC[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000000372 567816517 /nfs/dbraw/zinc/81/65/17/567816517.db2.gz UTAPTDWKRLVUMP-QGZVFWFLSA-N 1 0 297.467 4.766 50 0 CJAARO C[NH+]1CCC(=C2c3ccccc3Sc3ccccc32)CC1 ZINC000000000627 567816520 /nfs/dbraw/zinc/81/65/20/567816520.db2.gz NZLVRVYNQYGMAB-UHFFFAOYSA-N 1 0 293.435 4.679 50 0 world CJAARO CC[NH+](CC)CCN1c2ccccc2Sc2ccccc21 ZINC000000001286 567890216 /nfs/dbraw/zinc/89/02/16/567890216.db2.gz LURMIKVZJSMXQE-UHFFFAOYSA-N 1 0 298.455 4.631 50 0 in-man CJAARO C[NH+](C)CCC=C1c2ccccc2Sc2ccccc21 ZINC000000001997 169503711 /nfs/dbraw/zinc/50/37/11/169503711.db2.gz JJSMYTSEKDSFKK-UHFFFAOYSA-N 1 0 281.424 4.535 50 0 in-man CJAARO CC(C)C[C@@H]([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 ZINC000000004759 567816392 /nfs/dbraw/zinc/81/63/92/567816392.db2.gz UNAANXDKBXWMLN-MRXNPFEDSA-N 1 0 279.855 4.738 50 0 world CJAARO C[NH+](C)Cc1ccccc1Sc1ccccc1Cl ZINC000000015129 570245396 /nfs/dbraw/zinc/24/53/96/570245396.db2.gz CAZPVIDRPGRYIF-UHFFFAOYSA-N 1 0 277.820 4.553 50 0 CJAARO C[NH+](C)CC/C=C1\c2ccccc2CSc2ccccc21 ZINC000000020249 567034806 /nfs/dbraw/zinc/03/48/06/567034806.db2.gz PHTUQLWOUWZIMZ-GZTJUZNOSA-N 1 0 295.451 4.676 50 0 world CJAARO CCc1c(C)[nH]c(/C=C2\[NH+]=C(C)C(CC)=C2C)c1C ZINC000000053114 567917300 /nfs/dbraw/zinc/91/73/00/567917300.db2.gz QSPGBUOFJNDGBP-MFOYZWKCSA-N 1 0 256.393 4.736 50 0 CJAARO COc1ccc2[nH+]c(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000000063901 567906666 /nfs/dbraw/zinc/90/66/66/567906666.db2.gz VPCPEZOMHMGEMP-UHFFFAOYSA-N 1 0 298.773 4.949 50 0 CJAARO COc1cccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c1 ZINC000000071949 567817636 /nfs/dbraw/zinc/81/76/36/567817636.db2.gz ARSATGWELISZHH-UHFFFAOYSA-N 1 0 292.382 4.912 50 0 CJAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3cccc(O)c3)c2c1 ZINC000000071990 567907424 /nfs/dbraw/zinc/90/74/24/567907424.db2.gz SWNSBZANQIQZKU-UHFFFAOYSA-N 1 0 278.355 4.609 50 0 CJAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1 ZINC000000071992 567907481 /nfs/dbraw/zinc/90/74/81/567907481.db2.gz DQKNENUMBQTIOE-UHFFFAOYSA-N 1 0 278.355 4.609 50 0 CJAARO COc1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1 ZINC000000077005 567817512 /nfs/dbraw/zinc/81/75/12/567817512.db2.gz DBSZUKKHWWCDKR-UHFFFAOYSA-N 1 0 278.355 4.604 50 0 CJAARO CC(=O)c1cccc(Nc2cc(C)[nH+]c3ccc(C)cc23)c1 ZINC000000077012 567907364 /nfs/dbraw/zinc/90/73/64/567907364.db2.gz CJJQRRYKQAEAFP-UHFFFAOYSA-N 1 0 290.366 4.798 50 0 CJAARO Cc1cc(Nc2ccc(N(C)C)cc2)c2cccc(C)c2[nH+]1 ZINC000000085178 567817833 /nfs/dbraw/zinc/81/78/33/567817833.db2.gz XJQPEPORJGIEBU-UHFFFAOYSA-N 1 0 291.398 4.661 50 0 CJAARO Cc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000000112308 567887433 /nfs/dbraw/zinc/88/74/33/567887433.db2.gz LMBGOBJQESYQAC-UHFFFAOYSA-N 1 0 262.356 4.904 50 0 CJAARO COc1cccc(Nc2cc(C)[nH+]c3c(C)cccc23)c1 ZINC000000112352 567818640 /nfs/dbraw/zinc/81/86/40/567818640.db2.gz AVECWGITJBEVIE-UHFFFAOYSA-N 1 0 278.355 4.604 50 0 CJAARO Cc1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000122814 567923498 /nfs/dbraw/zinc/92/34/98/567923498.db2.gz FNEZJMQBSHKMIA-UHFFFAOYSA-N 1 0 274.367 4.776 50 0 CJAARO Cc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000122819 567819004 /nfs/dbraw/zinc/81/90/04/567819004.db2.gz NAUVDUAFMRTQQN-UHFFFAOYSA-N 1 0 274.367 4.776 50 0 CJAARO Cc1c2ccccc2sc1C[N@@H+]1CCc2ccccc2C1 ZINC000000153850 567820328 /nfs/dbraw/zinc/82/03/28/567820328.db2.gz QTYBGUQJNPTWBX-UHFFFAOYSA-N 1 0 293.435 4.768 50 0 CJAARO Cc1cccc2c3c(c(C)[nH+]c12)CCN3c1ccccc1F ZINC000000158999 567820756 /nfs/dbraw/zinc/82/07/56/567820756.db2.gz MYUVOPXZMCGDAD-UHFFFAOYSA-N 1 0 292.357 4.685 50 0 CJAARO Cc1ccc2[nH+]c(C)c3c(c2c1)N(c1ccc(F)cc1)CC3 ZINC000000159008 567820865 /nfs/dbraw/zinc/82/08/65/567820865.db2.gz LLFXNQZAIBQTEX-UHFFFAOYSA-N 1 0 292.357 4.685 50 0 CJAARO Cc1ccc2[nH+]c(C)c3c(c2c1)N(c1ccccc1)CC3 ZINC000000159415 567820685 /nfs/dbraw/zinc/82/06/85/567820685.db2.gz CBCFXXYRVWKHQC-UHFFFAOYSA-N 1 0 274.367 4.546 50 0 CJAARO Cc1cc(Nc2ccccc2Cl)c2ccccc2[nH+]1 ZINC000000171640 567821259 /nfs/dbraw/zinc/82/12/59/567821259.db2.gz PQKNRVKHKFARSL-UHFFFAOYSA-N 1 0 268.747 4.940 50 0 CJAARO Cc1cc(Nc2ccc(C)c(F)c2)c2ccccc2[nH+]1 ZINC000000171641 567821427 /nfs/dbraw/zinc/82/14/27/567821427.db2.gz MRWIRFAXTOTSOM-UHFFFAOYSA-N 1 0 266.319 4.734 50 0 CJAARO Cc1ccc(Nc2cc(C)[nH+]c3ccccc23)c(C)c1 ZINC000000171644 567821402 /nfs/dbraw/zinc/82/14/02/567821402.db2.gz FIIZJSOCFKYORX-UHFFFAOYSA-N 1 0 262.356 4.904 50 0 CJAARO Cc1cc(Nc2ccccc2C)c2cccc(C)c2[nH+]1 ZINC000000183375 567821607 /nfs/dbraw/zinc/82/16/07/567821607.db2.gz WDCSUVPNJWFDAJ-UHFFFAOYSA-N 1 0 262.356 4.904 50 0 CJAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)c(C)ccc23)cc1 ZINC000000183381 567821755 /nfs/dbraw/zinc/82/17/55/567821755.db2.gz FMXISSIFOFZJOV-UHFFFAOYSA-N 1 0 292.382 4.912 50 0 CJAARO CCC1CCC(c2ccc(C(=O)CC[NH+](C)C)cc2)CC1 ZINC000000184324 567929940 /nfs/dbraw/zinc/92/99/40/567929940.db2.gz CFRXWVFEBZXNCO-UHFFFAOYSA-N 1 0 287.447 4.505 50 0 CJAARO Cc1ccc(SCc2cn3cc(Cl)ccc3n2)cc1 ZINC000000193596 567924958 /nfs/dbraw/zinc/92/49/58/567924958.db2.gz KROYHUDRJMNMFD-UHFFFAOYSA-N 1 0 288.803 4.588 50 0 CJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1CCCCC1 ZINC000000206979 567822168 /nfs/dbraw/zinc/82/21/68/567822168.db2.gz UEUQYLXESARPGR-SFHVURJKSA-N 1 0 282.431 4.776 50 0 CJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1CCCCC1 ZINC000000206982 567822191 /nfs/dbraw/zinc/82/21/91/567822191.db2.gz UEUQYLXESARPGR-GOSISDBHSA-N 1 0 282.431 4.776 50 0 CJAARO C[C@H]1CCc2ccccc2N1C(=[NH2+])Nc1ccc(Cl)cc1 ZINC000000216151 136391773 /nfs/dbraw/zinc/39/17/73/136391773.db2.gz STQOBPBTROMBRQ-LBPRGKRZSA-N 1 0 299.805 4.528 50 0 CJAARO C[C@@H]1CCc2ccccc2N1C(=[NH2+])Nc1ccc(Cl)cc1 ZINC000000216154 136391644 /nfs/dbraw/zinc/39/16/44/136391644.db2.gz STQOBPBTROMBRQ-GFCCVEGCSA-N 1 0 299.805 4.528 50 0 CJAARO CC[n+]1c(C)sc(-c2ccccc2)c1-c1ccccc1 ZINC000000225590 567822453 /nfs/dbraw/zinc/82/24/53/567822453.db2.gz AOPAXABZDNKENE-UHFFFAOYSA-N 1 0 280.416 4.698 50 0 CJAARO CCOc1ccccc1Nc1cc(C)[nH+]c2ccccc12 ZINC000000256307 567884136 /nfs/dbraw/zinc/88/41/36/567884136.db2.gz JQUGYHLOVSLMOO-UHFFFAOYSA-N 1 0 278.355 4.686 50 0 CJAARO c1ccc2c(c1)C[C@@H]([NH+]1CCCCC1)c1ccccc1N2 ZINC000000256650 567823414 /nfs/dbraw/zinc/82/34/14/567823414.db2.gz RCQZFXYRZXWFII-LJQANCHMSA-N 1 0 278.399 4.513 50 0 CJAARO c1ccc2c(c1)C[C@H]([NH+]1CCCCC1)c1ccccc1N2 ZINC000000256651 567823228 /nfs/dbraw/zinc/82/32/28/567823228.db2.gz RCQZFXYRZXWFII-IBGZPJMESA-N 1 0 278.399 4.513 50 0 CJAARO CCO/C(=C\c1sc2ccc3ccccc3c2[n+]1C)CC ZINC000000264526 567925850 /nfs/dbraw/zinc/92/58/50/567925850.db2.gz SMQPEDLOQOAWPG-OWBHPGMISA-N 1 0 298.431 4.666 50 0 CJAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000000279618 567823457 /nfs/dbraw/zinc/82/34/57/567823457.db2.gz PHNQJFXWUYGWRC-FHERZECASA-N 1 0 283.500 4.511 50 0 CJAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000000279619 169595854 /nfs/dbraw/zinc/59/58/54/169595854.db2.gz PHNQJFXWUYGWRC-QQFBHYJXSA-N 1 0 283.500 4.511 50 0 CJAARO COc1ccc(C[NH2+]C2CCCCCC2)c2ccccc12 ZINC000000293073 567824403 /nfs/dbraw/zinc/82/44/03/567824403.db2.gz VFXVPAGUDVEXNF-UHFFFAOYSA-N 1 0 283.415 4.661 50 0 CJAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccccc12 ZINC000000293183 567936051 /nfs/dbraw/zinc/93/60/51/567936051.db2.gz GMTJIBVWBOAREF-KBXCAEBGSA-N 1 0 283.415 4.517 50 0 CJAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)c2ccccc12 ZINC000000293185 567935979 /nfs/dbraw/zinc/93/59/79/567935979.db2.gz GMTJIBVWBOAREF-RDTXWAMCSA-N 1 0 283.415 4.517 50 0 CJAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)c2ccccc12 ZINC000000293187 567936020 /nfs/dbraw/zinc/93/60/20/567936020.db2.gz GMTJIBVWBOAREF-KSSFIOAISA-N 1 0 283.415 4.517 50 0 CJAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)c2ccccc12 ZINC000000293188 567935867 /nfs/dbraw/zinc/93/58/67/567935867.db2.gz GMTJIBVWBOAREF-KDOFPFPSSA-N 1 0 283.415 4.517 50 0 CJAARO CCCc1[nH+]c2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000000320660 567926844 /nfs/dbraw/zinc/92/68/44/567926844.db2.gz KNQWWHNFFNUVEZ-UHFFFAOYSA-N 1 0 287.451 4.914 50 0 CJAARO Clc1ccc2scc(C[NH+]3CCCCC3)c2c1 ZINC000000338791 567825550 /nfs/dbraw/zinc/82/55/50/567825550.db2.gz AVUJQDWGFOVYCY-UHFFFAOYSA-N 1 0 265.809 4.541 50 0 CJAARO Cc1nc2ccc(Cl)cc2c2c1CCN2c1ccccc1 ZINC000000344247 567927017 /nfs/dbraw/zinc/92/70/17/567927017.db2.gz MGEIQNHPDIPDNE-UHFFFAOYSA-N 1 0 294.785 4.891 50 0 CJAARO CC[NH+](CC)Cc1csc2ccc(Br)cc12 ZINC000000345321 567935791 /nfs/dbraw/zinc/93/57/91/567935791.db2.gz UCKBCOASIUMSBQ-UHFFFAOYSA-N 1 0 298.249 4.506 50 0 CJAARO C[NH+](C)[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000346384 567825906 /nfs/dbraw/zinc/82/59/06/567825906.db2.gz HDUOZQKCGGNGTD-AWEZNQCLSA-N 1 0 289.831 4.650 50 0 CJAARO C[NH+](C)[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000346385 567825948 /nfs/dbraw/zinc/82/59/48/567825948.db2.gz HDUOZQKCGGNGTD-CQSZACIVSA-N 1 0 289.831 4.650 50 0 CJAARO C[NH+](C)Cc1cccc(Sc2ccccc2Cl)c1 ZINC000000346553 567825845 /nfs/dbraw/zinc/82/58/45/567825845.db2.gz LRJYCOXCGLJCLI-UHFFFAOYSA-N 1 0 277.820 4.553 50 0 CJAARO C[NH+](C)Cc1ccc(Sc2ccccc2Cl)cc1 ZINC000000346569 567825842 /nfs/dbraw/zinc/82/58/42/567825842.db2.gz SQNHNCOJDFEKJL-UHFFFAOYSA-N 1 0 277.820 4.553 50 0 CJAARO Cc1ccccc1S[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000000346637 567825929 /nfs/dbraw/zinc/82/59/29/567825929.db2.gz WQWJFTFVUHECNJ-SFHVURJKSA-N 1 0 285.456 4.780 50 0 CJAARO Cc1ccccc1S[C@H](CC[NH+](C)C)c1ccccc1 ZINC000000346640 567825791 /nfs/dbraw/zinc/82/57/91/567825791.db2.gz WQWJFTFVUHECNJ-GOSISDBHSA-N 1 0 285.456 4.780 50 0 CJAARO C[NH+](C)Cc1cccc(Sc2ccc(Cl)cc2)c1 ZINC000000346646 567825867 /nfs/dbraw/zinc/82/58/67/567825867.db2.gz DECPXWOQZCMYMS-UHFFFAOYSA-N 1 0 277.820 4.553 50 0 CJAARO C[NH+](C)Cc1ccc(Sc2cccc(Cl)c2)cc1 ZINC000000346647 567826073 /nfs/dbraw/zinc/82/60/73/567826073.db2.gz DQOHSEZYXSACCG-UHFFFAOYSA-N 1 0 277.820 4.553 50 0 CJAARO c1ccc2c(c1)C[C@@H]([NH+]1CCCCC1)c1ccccc1S2 ZINC000000346656 169613297 /nfs/dbraw/zinc/61/32/97/169613297.db2.gz UTNUUYXIIWEJCI-QGZVFWFLSA-N 1 0 295.451 4.921 50 0 CJAARO c1ccc2c(c1)C[C@H]([NH+]1CCCCC1)c1ccccc1S2 ZINC000000346657 169613361 /nfs/dbraw/zinc/61/33/61/169613361.db2.gz UTNUUYXIIWEJCI-KRWDZBQOSA-N 1 0 295.451 4.921 50 0 CJAARO C[NH+](C)CC[C@@H]1Sc2ccccc2Oc2ccccc21 ZINC000000347767 567826459 /nfs/dbraw/zinc/82/64/59/567826459.db2.gz UAFVYCBWJBEHFW-INIZCTEOSA-N 1 0 285.412 4.577 50 0 CJAARO C[NH+](C)CC[C@H]1Sc2ccccc2Oc2ccccc21 ZINC000000347769 169613611 /nfs/dbraw/zinc/61/36/11/169613611.db2.gz UAFVYCBWJBEHFW-MRXNPFEDSA-N 1 0 285.412 4.577 50 0 CJAARO CC[NH+](CC)Cc1ccccc1Sc1ccccc1 ZINC000000347783 567826121 /nfs/dbraw/zinc/82/61/21/567826121.db2.gz LWRSLWDTFYXZRF-UHFFFAOYSA-N 1 0 271.429 4.680 50 0 CJAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccccc3)c2c1 ZINC000000348401 567826424 /nfs/dbraw/zinc/82/64/24/567826424.db2.gz JOCSYPLYUWUKFZ-UHFFFAOYSA-N 1 0 262.356 4.904 50 0 CJAARO COc1ccccc1Nc1cc(C)[nH+]c2c(C)c(C)ccc12 ZINC000000348408 567826384 /nfs/dbraw/zinc/82/63/84/567826384.db2.gz UWEMABQMYHOLJA-UHFFFAOYSA-N 1 0 292.382 4.912 50 0 CJAARO C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000357578 567826574 /nfs/dbraw/zinc/82/65/74/567826574.db2.gz FICFGTKHQQCELD-NSHDSACASA-N 1 0 280.198 4.844 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000000357581 567826702 /nfs/dbraw/zinc/82/67/02/567826702.db2.gz FICFGTKHQQCELD-LLVKDONJSA-N 1 0 280.198 4.844 50 0 CJAARO CCC1=C[C@@H]2Cc3[nH+]c4ccc(Cl)cc4c(N)c3[C@H](C1)C2 ZINC000000367097 567827419 /nfs/dbraw/zinc/82/74/19/567827419.db2.gz RROMZQOFYWOWAP-NWDGAFQWSA-N 1 0 298.817 4.857 50 0 CJAARO CCC1=C[C@H]2Cc3[nH+]c4ccc(Cl)cc4c(N)c3[C@@H](C1)C2 ZINC000000367100 567827357 /nfs/dbraw/zinc/82/73/57/567827357.db2.gz RROMZQOFYWOWAP-NEPJUHHUSA-N 1 0 298.817 4.857 50 0 CJAARO Clc1ccc2c(c1)sc[n+]2Cc1cccc(Cl)c1 ZINC000000404901 567829379 /nfs/dbraw/zinc/82/93/79/567829379.db2.gz UWLWMLGBCATFGP-UHFFFAOYSA-N 1 0 295.214 4.544 50 0 CJAARO Fc1ccccc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000000429780 567930389 /nfs/dbraw/zinc/93/03/89/567930389.db2.gz APZFLTHBNICOMQ-UHFFFAOYSA-N 1 0 278.330 4.606 50 0 CJAARO CC[NH+](CC)CCOc1c(C(C)C)cccc1C(C)C ZINC000000433539 567887303 /nfs/dbraw/zinc/88/73/03/567887303.db2.gz JZQVECAOVPAQPA-UHFFFAOYSA-N 1 0 277.452 4.654 50 0 CJAARO C[C@]1(C[C@H]2CC3=C(CC2(C)C)C(C)(C)CCC3)[NH2+]CCO1 ZINC000000517728 169660280 /nfs/dbraw/zinc/66/02/80/169660280.db2.gz ZKODVQKHCBTANH-BEFAXECRSA-N 1 0 291.479 4.655 50 0 CJAARO C[C@]1(C[C@@H]2CC3=C(CC2(C)C)C(C)(C)CCC3)[NH2+]CCO1 ZINC000000517729 567941956 /nfs/dbraw/zinc/94/19/56/567941956.db2.gz ZKODVQKHCBTANH-KXBFYZLASA-N 1 0 291.479 4.655 50 0 CJAARO C[C@@]1(C[C@H]2CC3=C(CC2(C)C)C(C)(C)CCC3)[NH2+]CCO1 ZINC000000517730 567941930 /nfs/dbraw/zinc/94/19/30/567941930.db2.gz ZKODVQKHCBTANH-DNVCBOLYSA-N 1 0 291.479 4.655 50 0 CJAARO C[C@@]1(C[C@@H]2CC3=C(CC2(C)C)C(C)(C)CCC3)[NH2+]CCO1 ZINC000000517731 567941902 /nfs/dbraw/zinc/94/19/02/567941902.db2.gz ZKODVQKHCBTANH-HNAYVOBHSA-N 1 0 291.479 4.655 50 0 CJAARO CC(C)C1c2ccccc2[C@@H](C)CC2(CCCCC2)[N+]1=O ZINC000000519596 567942237 /nfs/dbraw/zinc/94/22/37/567942237.db2.gz OEAXKBQSNIXDKE-HNNXBMFYSA-N 1 0 285.431 4.852 50 0 CJAARO CC(C)C1c2ccccc2[C@H](C)CC2(CCCCC2)[N+]1=O ZINC000000519597 169661245 /nfs/dbraw/zinc/66/12/45/169661245.db2.gz OEAXKBQSNIXDKE-OAHLLOKOSA-N 1 0 285.431 4.852 50 0 CJAARO Cc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000000524639 567833454 /nfs/dbraw/zinc/83/34/54/567833454.db2.gz FISAKEHVGYZHRQ-UHFFFAOYSA-N 1 0 291.181 4.700 50 0 CJAARO CC(C)C[C@H]([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 ZINC000000531272 567833395 /nfs/dbraw/zinc/83/33/95/567833395.db2.gz UNAANXDKBXWMLN-INIZCTEOSA-N 1 0 279.855 4.738 50 0 world CJAARO Cc1cc(Nc2cccc(O)c2)c2cccc(Cl)c2n1 ZINC000000545340 567833364 /nfs/dbraw/zinc/83/33/64/567833364.db2.gz VVGCQSBHLYNCFS-UHFFFAOYSA-N 1 0 284.746 4.646 50 0 CJAARO Cc1ccc2[nH+]c3c(c(Nc4ccccc4)c2c1)CCC3 ZINC000000547228 567943049 /nfs/dbraw/zinc/94/30/49/567943049.db2.gz XFFWMGGFUDFFHD-UHFFFAOYSA-N 1 0 274.367 4.776 50 0 CJAARO C[C@]12CC3CC([NH2+]Cc4ccc(F)cc4)(C1)C[C@@](C)(C3)C2 ZINC000000571167 567936554 /nfs/dbraw/zinc/93/65/54/567936554.db2.gz QKDZIGDHLPAAEE-AFGAAMFOSA-N 1 0 287.422 4.664 50 0 CJAARO C[NH+](C)CCC=C1c2ccccc2C=Cc2ccccc21 ZINC000000968263 169683207 /nfs/dbraw/zinc/68/32/07/169683207.db2.gz JURKNVYFZMSNLP-UHFFFAOYSA-N 1 0 275.395 4.554 50 0 fda CJAARO C[NH+]1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 ZINC000000968264 567835251 /nfs/dbraw/zinc/83/52/51/567835251.db2.gz JJCFRYNCJDLXIK-UHFFFAOYSA-N 1 0 287.406 4.698 50 0 fda CJAARO C[NH+](C)Cc1cc2ccccc2c(-c2ccccc2)c1 ZINC000000971559 567835394 /nfs/dbraw/zinc/83/53/94/567835394.db2.gz KCMFQMFEDYLPMT-UHFFFAOYSA-N 1 0 261.368 4.568 50 0 CJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccccc1 ZINC000000978654 567835464 /nfs/dbraw/zinc/83/54/64/567835464.db2.gz QFDFWFMCDCUQNX-IBGZPJMESA-N 1 0 290.410 4.644 50 0 CJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccccc1 ZINC000000978655 567835353 /nfs/dbraw/zinc/83/53/53/567835353.db2.gz QFDFWFMCDCUQNX-LJQANCHMSA-N 1 0 290.410 4.644 50 0 CJAARO c1ccc(-c2cc3cccc[n+]3cc2-c2ccccc2)cc1 ZINC000001019608 567835845 /nfs/dbraw/zinc/83/58/45/567835845.db2.gz IMXHITYZJQFDJS-UHFFFAOYSA-N 1 0 282.366 4.759 50 0 CJAARO Cc1cc(C)c(-n2cccc2C[NH2+]C2CCCCC2)c(C)c1 ZINC000001226311 567836393 /nfs/dbraw/zinc/83/63/93/567836393.db2.gz PCVMVXMHEWOLIS-UHFFFAOYSA-N 1 0 296.458 4.825 50 0 CJAARO c1ccc(COc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000001226412 567937084 /nfs/dbraw/zinc/93/70/84/567937084.db2.gz JIFHMSIESIGRNK-UHFFFAOYSA-N 1 0 295.426 4.642 50 0 CJAARO Clc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000001227465 567937082 /nfs/dbraw/zinc/93/70/82/567937082.db2.gz PFUGFBVKYUAACM-UHFFFAOYSA-N 1 0 299.845 4.795 50 0 CJAARO c1cc(C2CCCCC2)cc2c3c4n(c12)CCN=C4CCC3 ZINC000001231959 566975011 /nfs/dbraw/zinc/97/50/11/566975011.db2.gz OVCCKTVJNGWECO-UHFFFAOYSA-N 1 0 292.426 4.828 50 0 aggregator CJAARO c1cc(C2CCCCC2)cc2c3c4n(c12)CC[NH2+][C@H]4CCC3 ZINC000001248847 567836956 /nfs/dbraw/zinc/83/69/56/567836956.db2.gz AUXCHYJDVJZEPG-SFHVURJKSA-N 1 0 294.442 4.670 50 0 in-vitro CJAARO c1cc(C2CCCCC2)cc2c3c4n(c12)CC[NH2+][C@@H]4CCC3 ZINC000001248848 567836804 /nfs/dbraw/zinc/83/68/04/567836804.db2.gz AUXCHYJDVJZEPG-GOSISDBHSA-N 1 0 294.442 4.670 50 0 in-vitro CJAARO CCC[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000001280204 566861120 /nfs/dbraw/zinc/86/11/20/566861120.db2.gz OWJXGLSBEBNLMI-YWZLYKJASA-N 1 0 296.458 4.841 50 0 CJAARO CCC[C@@H]1CCC[N@@H+]2CCCc3c4ccccc4[nH]c3[C@@]12C ZINC000001280279 566859255 /nfs/dbraw/zinc/85/92/55/566859255.db2.gz HFTKZFPMMURMOX-FOIQADDNSA-N 1 0 296.458 4.841 50 0 CJAARO CC[N+]1=C(C)C(C)(C)c2cc(-c3ccccc3)ccc21 ZINC000001306424 566860690 /nfs/dbraw/zinc/86/06/90/566860690.db2.gz IKMNSQMUFNBOEV-UHFFFAOYSA-N 1 0 264.392 4.770 50 0 CJAARO C[C@@H]1[NH2+]C2(CCCCC2)CC(C)(C)c2ccccc21 ZINC000001322337 567836722 /nfs/dbraw/zinc/83/67/22/567836722.db2.gz DHJGTZXBHHFZQG-AWEZNQCLSA-N 1 0 257.421 4.721 50 0 CJAARO C[C@H]1[NH2+]C2(CCCCC2)CC(C)(C)c2ccccc21 ZINC000001322338 567837016 /nfs/dbraw/zinc/83/70/16/567837016.db2.gz DHJGTZXBHHFZQG-CQSZACIVSA-N 1 0 257.421 4.721 50 0 CJAARO c1ccc(-c2cc(N3CCCCC3)c3ccccc3[nH+]2)cc1 ZINC000001423111 567837117 /nfs/dbraw/zinc/83/71/17/567837117.db2.gz HYCVPCISSSUCAZ-UHFFFAOYSA-N 1 0 288.394 4.892 50 0 CJAARO c1ccc2cc3[nH]c(C4CCCCC4)nc3cc2c1 ZINC000001464166 567837714 /nfs/dbraw/zinc/83/77/14/567837714.db2.gz HKMIECYKXZGELO-UHFFFAOYSA-N 1 0 250.345 4.764 50 0 CJAARO C[C@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)C ZINC000001481797 567881271 /nfs/dbraw/zinc/88/12/71/567881271.db2.gz UISARWKNNNHPGI-MRXNPFEDSA-N 1 0 281.443 4.985 50 0 world CJAARO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+]C(C)(C)C ZINC000001481798 169709655 /nfs/dbraw/zinc/70/96/55/169709655.db2.gz UISARWKNNNHPGI-INIZCTEOSA-N 1 0 281.443 4.985 50 0 world CJAARO CC[NH+](CCCc1ccccc1)CCCc1ccccc1 ZINC000001481966 169709533 /nfs/dbraw/zinc/70/95/33/169709533.db2.gz ZPFXAOWNKLFJDN-UHFFFAOYSA-N 1 0 281.443 4.574 50 0 world CJAARO c1ccc(C(CC[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000001482064 566910776 /nfs/dbraw/zinc/91/07/76/566910776.db2.gz JXJPYHDHJZJWRI-UHFFFAOYSA-N 1 0 279.427 4.695 50 0 in-man CJAARO C[NH+](C)CCC=C1c2ccccc2C(C)(C)c2ccccc21 ZINC000001482101 567837548 /nfs/dbraw/zinc/83/75/48/567837548.db2.gz GWWLWDURRGNSRS-UHFFFAOYSA-N 1 0 291.438 4.709 50 0 world CJAARO NC(=[NH2+])c1ccc(C=C2c3ccccc3-c3ccccc32)cc1 ZINC000001482136 567955920 /nfs/dbraw/zinc/95/59/20/567955920.db2.gz WOVTUUKKGNHVFZ-UHFFFAOYSA-N 1 0 296.373 4.540 50 0 in-man CJAARO c1ccc(C[NH+]2CCC3(CCCc4ccccc43)CC2)cc1 ZINC000001493052 567837543 /nfs/dbraw/zinc/83/75/43/567837543.db2.gz MLDCBJPLHBPJET-UHFFFAOYSA-N 1 0 291.438 4.557 50 0 CJAARO C[N@H+](C/C=C/c1ccccc1)Cc1cccc2ccccc21 ZINC000001530977 567837755 /nfs/dbraw/zinc/83/77/55/567837755.db2.gz OZGNYLLQHRPOBR-DHZHZOJOSA-N 1 0 287.406 4.985 50 0 fda CJAARO C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1cccs1 ZINC000001536779 567837564 /nfs/dbraw/zinc/83/75/64/567837564.db2.gz ZEUITGRIYCTCEM-KRWDZBQOSA-N 1 0 297.423 4.631 50 0 fda CJAARO C[NH2+]CC[C@@H](Oc1cccc2ccccc21)c1cccs1 ZINC000001536780 567837711 /nfs/dbraw/zinc/83/77/11/567837711.db2.gz ZEUITGRIYCTCEM-QGZVFWFLSA-N 1 0 297.423 4.631 50 0 in-vivo CJAARO Clc1ccc(N2C=Nc3ccc(Cl)cc3C2)cc1 ZINC000001568729 567838030 /nfs/dbraw/zinc/83/80/30/567838030.db2.gz NODSXLGPQFDNLA-UHFFFAOYSA-N 1 0 277.154 4.673 50 0 CJAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C[NH3+])CCC[C@]21C ZINC000001641244 567840101 /nfs/dbraw/zinc/84/01/01/567840101.db2.gz JVVXZOOGOGPDRZ-XUVXKRRUSA-N 1 0 285.475 4.779 50 0 CJAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(Cl)cc1 ZINC000001687219 567841285 /nfs/dbraw/zinc/84/12/85/567841285.db2.gz LGIITDSYZJRSSX-UHFFFAOYSA-N 1 0 253.817 4.644 50 0 CJAARO C[NH+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000001691249 567841642 /nfs/dbraw/zinc/84/16/42/567841642.db2.gz QPCPLFFZEHXWIJ-UHFFFAOYSA-N 1 0 280.198 4.625 50 0 CJAARO CCCCCCNc1cc(C)[nH+]c2ccc(OC)cc12 ZINC000001733852 567842893 /nfs/dbraw/zinc/84/28/93/567842893.db2.gz QSNJXMYTJUCIAC-UHFFFAOYSA-N 1 0 272.392 4.544 50 0 CJAARO CC(C)c1cccc(C(C)C)c1OCC[NH+]1CCCCC1 ZINC000001734066 567887656 /nfs/dbraw/zinc/88/76/56/567887656.db2.gz JXRCXOADQWXMFO-UHFFFAOYSA-N 1 0 289.463 4.798 50 0 CJAARO COc1ccc([C@H](CC[NH2+]Cc2ccccc2)C(C)C)cc1 ZINC000001810427 566969507 /nfs/dbraw/zinc/96/95/07/566969507.db2.gz JKULGQNHTDOKGI-HXUWFJFHSA-N 1 0 297.442 4.615 50 0 CJAARO COc1ccc([C@@H](CC[NH2+]Cc2ccccc2)C(C)C)cc1 ZINC000001810429 566969524 /nfs/dbraw/zinc/96/95/24/566969524.db2.gz JKULGQNHTDOKGI-FQEVSTJZSA-N 1 0 297.442 4.615 50 0 CJAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C[NH3+])CCC[C@]21C ZINC000001871223 566974891 /nfs/dbraw/zinc/97/48/91/566974891.db2.gz JVVXZOOGOGPDRZ-VAMGGRTRSA-N 1 0 285.475 4.779 50 0 CJAARO CCCCCOc1ccc(Cl)cc1C[NH+]1CCCCC1 ZINC000001902236 566970066 /nfs/dbraw/zinc/97/00/66/566970066.db2.gz MNOYJMFDFHSFKX-UHFFFAOYSA-N 1 0 295.854 4.895 50 0 CJAARO C[NH2+]CCC[C@@H]1Sc2ccccc2Oc2ccccc21 ZINC000002021866 567844248 /nfs/dbraw/zinc/84/42/48/567844248.db2.gz OKHWNJARAFKRRE-INIZCTEOSA-N 1 0 285.412 4.625 50 0 CJAARO C[NH2+]CCC[C@H]1Sc2ccccc2Oc2ccccc21 ZINC000002021867 567844251 /nfs/dbraw/zinc/84/42/51/567844251.db2.gz OKHWNJARAFKRRE-MRXNPFEDSA-N 1 0 285.412 4.625 50 0 CJAARO C[NH+](C)CCC[C@@H]1Sc2ccccc2Oc2ccccc21 ZINC000002021872 566979907 /nfs/dbraw/zinc/97/99/07/566979907.db2.gz JOCYBRWMQPUNJJ-KRWDZBQOSA-N 1 0 299.439 4.968 50 0 CJAARO C[NH+](C)CCC[C@H]1Sc2ccccc2Oc2ccccc21 ZINC000002021873 566979033 /nfs/dbraw/zinc/97/90/33/566979033.db2.gz JOCYBRWMQPUNJJ-QGZVFWFLSA-N 1 0 299.439 4.968 50 0 CJAARO C[NH+](C)CCC[C@H]1c2ccccc2CSc2ccccc21 ZINC000002039143 567844035 /nfs/dbraw/zinc/84/40/35/567844035.db2.gz UTAPTDWKRLVUMP-KRWDZBQOSA-N 1 0 297.467 4.766 50 0 CJAARO C[C@@H](CCC[NH+](C)C)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002049869 567844447 /nfs/dbraw/zinc/84/44/47/567844447.db2.gz KYAKSESTNXAPNO-GHTZIAJQSA-N 1 0 295.470 4.991 50 0 CJAARO C[C@H](CCC[NH+](C)C)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000002049870 169773092 /nfs/dbraw/zinc/77/30/92/169773092.db2.gz KYAKSESTNXAPNO-WIYYLYMNSA-N 1 0 295.470 4.991 50 0 CJAARO C[C@@H](CCC[NH+](C)C)[C@H](Cc1ccccc1)c1ccccc1 ZINC000002049871 567844428 /nfs/dbraw/zinc/84/44/28/567844428.db2.gz KYAKSESTNXAPNO-RXVVDRJESA-N 1 0 295.470 4.991 50 0 CJAARO C[C@H](CCC[NH+](C)C)[C@H](Cc1ccccc1)c1ccccc1 ZINC000002049872 567844477 /nfs/dbraw/zinc/84/44/77/567844477.db2.gz KYAKSESTNXAPNO-NQIIRXRSSA-N 1 0 295.470 4.991 50 0 CJAARO CCCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002171753 567834826 /nfs/dbraw/zinc/83/48/26/567834826.db2.gz IXOFFYZVVFZVSW-UHFFFAOYSA-N 1 0 259.437 4.521 50 0 CJAARO Cc1cc(OCCCCC[NH+]2CCCCC2)ccc1Cl ZINC000002183535 567845089 /nfs/dbraw/zinc/84/50/89/567845089.db2.gz INNBQWNKHVPLSB-UHFFFAOYSA-N 1 0 295.854 4.683 50 0 CJAARO Cc1ccc(OCCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000002183544 567845095 /nfs/dbraw/zinc/84/50/95/567845095.db2.gz FMWKZCLDKINBDH-UHFFFAOYSA-N 1 0 295.854 4.683 50 0 CJAARO c1coc([C@@H](CC[NH2+]Cc2ccccc2)c2ccccc2)c1 ZINC000002300008 570386062 /nfs/dbraw/zinc/38/60/62/570386062.db2.gz YBWYZQHHMSUWKV-IBGZPJMESA-N 1 0 291.394 4.591 50 0 CJAARO c1coc([C@H](CC[NH2+]Cc2ccccc2)c2ccccc2)c1 ZINC000002300009 169785233 /nfs/dbraw/zinc/78/52/33/169785233.db2.gz YBWYZQHHMSUWKV-LJQANCHMSA-N 1 0 291.394 4.591 50 0 CJAARO CCCC[NH2+]CCCCCCOc1ccc(C)cc1C ZINC000002380028 567845389 /nfs/dbraw/zinc/84/53/89/567845389.db2.gz DJPDNBUDXSZNPM-UHFFFAOYSA-N 1 0 277.452 4.632 50 0 CJAARO CC[NH+](CC)CCCCCOc1cc(C)c(Cl)c(C)c1 ZINC000002464325 567845868 /nfs/dbraw/zinc/84/58/68/567845868.db2.gz ZOBYJMCMUJWGRT-UHFFFAOYSA-N 1 0 297.870 4.848 50 0 CJAARO CCn1c2ccccc2c2cc(C[NH2+]C3CCCC3)ccc21 ZINC000002466380 567845853 /nfs/dbraw/zinc/84/58/53/567845853.db2.gz XEPWTBDKWKGXPP-UHFFFAOYSA-N 1 0 292.426 4.847 50 0 CJAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000002487965 567845975 /nfs/dbraw/zinc/84/59/75/567845975.db2.gz HZWJUXDWSPHPHD-GOSISDBHSA-N 1 0 296.439 4.723 50 0 CJAARO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCCC1 ZINC000002487967 169794779 /nfs/dbraw/zinc/79/47/79/169794779.db2.gz HZWJUXDWSPHPHD-SFHVURJKSA-N 1 0 296.439 4.723 50 0 CJAARO CCCCOc1ccc(C[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000002489834 169794616 /nfs/dbraw/zinc/79/46/16/169794616.db2.gz AYBORCGVRBOEIZ-QGZVFWFLSA-N 1 0 275.436 4.630 50 0 CJAARO CCCCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000002489838 567845978 /nfs/dbraw/zinc/84/59/78/567845978.db2.gz AYBORCGVRBOEIZ-KRWDZBQOSA-N 1 0 275.436 4.630 50 0 CJAARO Fc1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000002493937 169795013 /nfs/dbraw/zinc/79/50/13/169795013.db2.gz MUJCQGFFHCARCQ-UHFFFAOYSA-N 1 0 278.330 4.606 50 0 CJAARO Clc1cccc(OCCCCCC[NH+]2CCCCC2)c1 ZINC000002494132 567845894 /nfs/dbraw/zinc/84/58/94/567845894.db2.gz LXKXCCJFOWBMCZ-UHFFFAOYSA-N 1 0 295.854 4.765 50 0 CJAARO CC(C)(C)c1ccccc1OCCCC[NH+]1CCCCC1 ZINC000002494138 567845992 /nfs/dbraw/zinc/84/59/92/567845992.db2.gz NLQFQHHZJHCNBS-UHFFFAOYSA-N 1 0 289.463 4.629 50 0 CJAARO c1ccc2cc(OCCCCC[NH+]3CCCCC3)ccc2c1 ZINC000002494160 169795148 /nfs/dbraw/zinc/79/51/48/169795148.db2.gz AUIBHSGUPMWLFU-UHFFFAOYSA-N 1 0 297.442 4.875 50 0 CJAARO Clc1ccccc1OCCCCCC[NH+]1CCCCC1 ZINC000002494170 169795252 /nfs/dbraw/zinc/79/52/52/169795252.db2.gz QUDXITMTCWCIFI-UHFFFAOYSA-N 1 0 295.854 4.765 50 0 CJAARO CC(C)(C)c1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000002494389 567845736 /nfs/dbraw/zinc/84/57/36/567845736.db2.gz JZCUQEYLVCEELA-UHFFFAOYSA-N 1 0 289.463 4.629 50 0 CJAARO CC(C)(C)c1ccc(OCCCCC[NH+]2CCCC2)cc1 ZINC000002494439 567887901 /nfs/dbraw/zinc/88/79/01/567887901.db2.gz BNSJQGYJDMGLPX-UHFFFAOYSA-N 1 0 289.463 4.629 50 0 CJAARO Cc1ccc(OCCC[NH+]2CCCCC2)c(C(C)(C)C)c1 ZINC000002495247 567846026 /nfs/dbraw/zinc/84/60/26/567846026.db2.gz COCMPROUMAFQEJ-UHFFFAOYSA-N 1 0 289.463 4.547 50 0 CJAARO c1ccc2c(c1)c1ccccc1n2CCC[NH+]1CCCCC1 ZINC000002497165 169795576 /nfs/dbraw/zinc/79/55/76/169795576.db2.gz KBHCNMNFHFXLCM-UHFFFAOYSA-N 1 0 292.426 4.671 50 0 CJAARO COc1ccccc1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000002498477 570277606 /nfs/dbraw/zinc/27/76/06/570277606.db2.gz MJFXMTOQMHMGDW-UHFFFAOYSA-N 1 0 295.426 4.511 50 0 CJAARO C/C=C1\[N@H+](C)[C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000002504597 567941203 /nfs/dbraw/zinc/94/12/03/567941203.db2.gz AJRJPORIQGYFMT-IBCCMOFXSA-N 1 0 277.411 4.601 50 0 endogenous,world CJAARO [NH3+][C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002506623 567846242 /nfs/dbraw/zinc/84/62/42/567846242.db2.gz NDCGGZYGIWLSAT-FQEVSTJZSA-N 1 0 273.379 4.519 50 0 CJAARO [NH3+][C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002506624 567846448 /nfs/dbraw/zinc/84/64/48/567846448.db2.gz NDCGGZYGIWLSAT-HXUWFJFHSA-N 1 0 273.379 4.519 50 0 CJAARO C[NH+](C)Cc1cccc(Sc2cccc(Cl)c2)c1 ZINC000002526692 567847719 /nfs/dbraw/zinc/84/77/19/567847719.db2.gz ZGOKDMHLJWXQNB-UHFFFAOYSA-N 1 0 277.820 4.553 50 0 CJAARO Cc1cc2[nH]c(-c3ccccc3)c(CCCC[NH3+])c2c(C)c1 ZINC000002534036 567847901 /nfs/dbraw/zinc/84/79/01/567847901.db2.gz MORFFTZZRXSIHC-UHFFFAOYSA-N 1 0 292.426 4.733 50 0 CJAARO c1ccc(CCCC[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000002557962 567848187 /nfs/dbraw/zinc/84/81/87/567848187.db2.gz HQGDPZPNAXRCSA-UHFFFAOYSA-N 1 0 293.454 4.889 50 0 in-vitro CJAARO C[C@@H]([NH2+]Cc1ccccc1)c1cccc2ccccc21 ZINC000002558699 567931975 /nfs/dbraw/zinc/93/19/75/567931975.db2.gz GOOYPHDQKHMZHR-OAHLLOKOSA-N 1 0 261.368 4.691 50 0 CJAARO C[C@H]([NH2+]Cc1ccccc1)c1cccc2ccccc21 ZINC000002558700 567848152 /nfs/dbraw/zinc/84/81/52/567848152.db2.gz GOOYPHDQKHMZHR-HNNXBMFYSA-N 1 0 261.368 4.691 50 0 CJAARO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCCCC1 ZINC000002561369 169809116 /nfs/dbraw/zinc/80/91/16/169809116.db2.gz MGNFYQILYYYUBS-INIZCTEOSA-N 1 0 273.464 4.649 50 0 in-vitro CJAARO C[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000002565403 567848136 /nfs/dbraw/zinc/84/81/36/567848136.db2.gz ZHBRSTZUNUZOJO-OAHLLOKOSA-N 1 0 261.368 4.691 50 0 CJAARO c1ccc(-c2cc([C@@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000002582643 567848757 /nfs/dbraw/zinc/84/87/57/567848757.db2.gz CTWLVOJVVMWDGE-SFHVURJKSA-N 1 0 288.394 4.716 50 0 CJAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C[NH3+] ZINC000002600204 566975228 /nfs/dbraw/zinc/97/52/28/566975228.db2.gz JVVXZOOGOGPDRZ-AQNXPRMDSA-N 1 0 285.475 4.779 50 0 CJAARO Clc1ccc(C[NH+]2CCCCCCC2)cc1Cl ZINC000002816333 567849530 /nfs/dbraw/zinc/84/95/30/567849530.db2.gz YKATUCHACQFGBL-UHFFFAOYSA-N 1 0 272.219 4.760 50 0 CJAARO CCC[NH+](CCC)CCCCOc1ccc(C)cc1C ZINC000002821778 169834193 /nfs/dbraw/zinc/83/41/93/169834193.db2.gz GXRCKDDWDVVDQD-UHFFFAOYSA-N 1 0 277.452 4.584 50 0 CJAARO Cc1cc(C)c(OCCC[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000002821810 570371430 /nfs/dbraw/zinc/37/14/30/570371430.db2.gz YOPYARSDGIQNNC-UHFFFAOYSA-N 1 0 297.442 4.513 50 0 CJAARO CCc1ccc(OCCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000002821980 570371426 /nfs/dbraw/zinc/37/14/26/570371426.db2.gz PKNFTRYZNWKASG-UHFFFAOYSA-N 1 0 297.442 4.540 50 0 CJAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(C(C)(C)C)cc1C ZINC000002822011 570371480 /nfs/dbraw/zinc/37/14/80/570371480.db2.gz BUHPXDNDPMCNNS-MRXNPFEDSA-N 1 0 291.479 4.840 50 0 CJAARO CC[C@H](C)[NH2+]CCCCOc1ccc(C(C)(C)C)cc1C ZINC000002822012 570371412 /nfs/dbraw/zinc/37/14/12/570371412.db2.gz BUHPXDNDPMCNNS-INIZCTEOSA-N 1 0 291.479 4.840 50 0 CJAARO CC[C@@H](C)[NH2+]CCCOc1ccc(Cl)c2ccccc12 ZINC000002822059 169834504 /nfs/dbraw/zinc/83/45/04/169834504.db2.gz GTYQXQKHVHELLY-CYBMUJFWSA-N 1 0 291.822 4.650 50 0 CJAARO CC[C@H](C)[NH2+]CCCOc1ccc(Cl)c2ccccc12 ZINC000002822060 570371421 /nfs/dbraw/zinc/37/14/21/570371421.db2.gz GTYQXQKHVHELLY-ZDUSSCGKSA-N 1 0 291.822 4.650 50 0 CJAARO Cc1cc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc(C(C)C)c1 ZINC000002822322 567036428 /nfs/dbraw/zinc/03/64/28/567036428.db2.gz PRZJLXLGGDAOLW-MRXNPFEDSA-N 1 0 289.463 4.619 50 0 CJAARO Cc1cc(OCCC[N@@H+]2CCC[C@H](C)C2)cc(C(C)C)c1 ZINC000002822324 567037473 /nfs/dbraw/zinc/03/74/73/567037473.db2.gz PRZJLXLGGDAOLW-INIZCTEOSA-N 1 0 289.463 4.619 50 0 CJAARO CCc1cccc(OCCCC[N@H+](C)Cc2ccccc2)c1 ZINC000002822399 567036891 /nfs/dbraw/zinc/03/68/91/567036891.db2.gz ABYMFPSLGSNZQQ-UHFFFAOYSA-N 1 0 297.442 4.540 50 0 CJAARO CC(C)(C)c1ccc(OCCC[NH2+]Cc2ccccc2)cc1 ZINC000002822427 567036410 /nfs/dbraw/zinc/03/64/10/567036410.db2.gz ZTLJFBUPZUQPQC-UHFFFAOYSA-N 1 0 297.442 4.543 50 0 CJAARO CC[C@@H](C)[NH2+]CCCCOc1cc(C(C)C)ccc1C ZINC000002822456 567037197 /nfs/dbraw/zinc/03/71/97/567037197.db2.gz GETJIHXUNUQBGG-MRXNPFEDSA-N 1 0 277.452 4.666 50 0 CJAARO CC[C@H](C)[NH2+]CCCCOc1cc(C(C)C)ccc1C ZINC000002822457 567037184 /nfs/dbraw/zinc/03/71/84/567037184.db2.gz GETJIHXUNUQBGG-INIZCTEOSA-N 1 0 277.452 4.666 50 0 CJAARO Cc1ccc(C(C)C)c(OCCC[NH+]2CCCCCC2)c1 ZINC000002822736 567037417 /nfs/dbraw/zinc/03/74/17/567037417.db2.gz RGNBLVJNTIOWJH-UHFFFAOYSA-N 1 0 289.463 4.763 50 0 CJAARO Cc1cc(OCCC[N@@H+]2CCC[C@@H](C)C2)ccc1C(C)C ZINC000002822931 567036510 /nfs/dbraw/zinc/03/65/10/567036510.db2.gz VCBKPUOPKGASCQ-MRXNPFEDSA-N 1 0 289.463 4.619 50 0 CJAARO Cc1cc(OCCC[N@@H+]2CCC[C@H](C)C2)ccc1C(C)C ZINC000002822933 169834802 /nfs/dbraw/zinc/83/48/02/169834802.db2.gz VCBKPUOPKGASCQ-INIZCTEOSA-N 1 0 289.463 4.619 50 0 CJAARO CC[C@@H](C)[NH2+]CCCCOc1cc(C)cc(C(C)C)c1 ZINC000002822958 333056998 /nfs/dbraw/zinc/05/69/98/333056998.db2.gz OCLXWBHRPPKNPW-MRXNPFEDSA-N 1 0 277.452 4.666 50 0 CJAARO CC[C@H](C)[NH2+]CCCCOc1cc(C)cc(C(C)C)c1 ZINC000002822959 333056988 /nfs/dbraw/zinc/05/69/88/333056988.db2.gz OCLXWBHRPPKNPW-INIZCTEOSA-N 1 0 277.452 4.666 50 0 CJAARO CC[C@@H](C)[NH2+]CCCCOc1ccc(C(C)C)c(C)c1 ZINC000002823029 333056968 /nfs/dbraw/zinc/05/69/68/333056968.db2.gz GPIGJIFXNZRLBG-MRXNPFEDSA-N 1 0 277.452 4.666 50 0 CJAARO CC[C@H](C)[NH2+]CCCCOc1ccc(C(C)C)c(C)c1 ZINC000002823030 333056855 /nfs/dbraw/zinc/05/68/55/333056855.db2.gz GPIGJIFXNZRLBG-INIZCTEOSA-N 1 0 277.452 4.666 50 0 CJAARO CC[C@@H](C)[NH2+]CCCCOc1cccc(Cl)c1Cl ZINC000002823058 333056927 /nfs/dbraw/zinc/05/69/27/333056927.db2.gz YNKALMDDBOGPSY-LLVKDONJSA-N 1 0 290.234 4.541 50 0 CJAARO CC[C@H](C)[NH2+]CCCCOc1cccc(Cl)c1Cl ZINC000002823059 333057017 /nfs/dbraw/zinc/05/70/17/333057017.db2.gz YNKALMDDBOGPSY-NSHDSACASA-N 1 0 290.234 4.541 50 0 CJAARO CC(C)c1cccc(OCCC[N@H+](C)Cc2ccccc2)c1 ZINC000002823239 567037359 /nfs/dbraw/zinc/03/73/59/567037359.db2.gz VIOXUYBKWWBCHN-UHFFFAOYSA-N 1 0 297.442 4.711 50 0 CJAARO Cc1ccc(OCCCC[NH2+][C@@H](C)c2ccccc2)c(C)c1 ZINC000002823660 169834871 /nfs/dbraw/zinc/83/48/71/169834871.db2.gz LYGAAHYMZHBKOM-SFHVURJKSA-N 1 0 297.442 4.813 50 0 CJAARO Cc1ccc(OCCCC[NH2+][C@H](C)c2ccccc2)c(C)c1 ZINC000002823661 567036717 /nfs/dbraw/zinc/03/67/17/567036717.db2.gz LYGAAHYMZHBKOM-GOSISDBHSA-N 1 0 297.442 4.813 50 0 CJAARO CC[C@@H](C)[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002823714 567036355 /nfs/dbraw/zinc/03/63/55/567036355.db2.gz SWGYHTQTOOLQEZ-CYBMUJFWSA-N 1 0 297.870 4.795 50 0 CJAARO CC[C@H](C)[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000002823715 567037353 /nfs/dbraw/zinc/03/73/53/567037353.db2.gz SWGYHTQTOOLQEZ-ZDUSSCGKSA-N 1 0 297.870 4.795 50 0 CJAARO Cc1ccc(OCCCC[N@H+]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000002824001 567036903 /nfs/dbraw/zinc/03/69/03/567036903.db2.gz QMVCCKPFOMOORM-OAHLLOKOSA-N 1 0 295.854 4.539 50 0 CJAARO Cc1ccc(OCCCC[N@H+]2CCC[C@H](C)C2)c(Cl)c1 ZINC000002824003 567036810 /nfs/dbraw/zinc/03/68/10/567036810.db2.gz QMVCCKPFOMOORM-HNNXBMFYSA-N 1 0 295.854 4.539 50 0 CJAARO CC[C@H](C)c1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000002825361 169835311 /nfs/dbraw/zinc/83/53/11/169835311.db2.gz GIUAIQCDPLJTKQ-IRXDYDNUSA-N 1 0 289.463 4.701 50 0 CJAARO Cc1cc(C)c(OCCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000002838757 567849545 /nfs/dbraw/zinc/84/95/45/567849545.db2.gz ACBKLUHCGDPWQT-UHFFFAOYSA-N 1 0 295.854 4.602 50 0 CJAARO Cc1cc(Cl)ccc1OCCCC[NH+]1CCCCCC1 ZINC000002838926 567849639 /nfs/dbraw/zinc/84/96/39/567849639.db2.gz DOXUTRWGBLLWIK-UHFFFAOYSA-N 1 0 295.854 4.683 50 0 CJAARO Cc1ccc(Cl)c(OCCCC[NH+]2CCCCCC2)c1 ZINC000002839005 567849488 /nfs/dbraw/zinc/84/94/88/567849488.db2.gz MTTXQOHVOFOERA-UHFFFAOYSA-N 1 0 295.854 4.683 50 0 CJAARO c1ccc2c(c1)cccc2OCCCC[NH+]1CCCCCC1 ZINC000002839411 567849656 /nfs/dbraw/zinc/84/96/56/567849656.db2.gz QFUZXJBQTAYTFZ-UHFFFAOYSA-N 1 0 297.442 4.875 50 0 CJAARO CC(C)c1ccc(OCCCC[NH+]2CCCCCC2)cc1 ZINC000002839475 567849649 /nfs/dbraw/zinc/84/96/49/567849649.db2.gz UBQNWUGSODUVIF-UHFFFAOYSA-N 1 0 289.463 4.845 50 0 CJAARO CC[C@@H](C)c1ccccc1OCCC[NH+]1CCCCCC1 ZINC000002839848 567849613 /nfs/dbraw/zinc/84/96/13/567849613.db2.gz ROXUCRFDTUDWIZ-QGZVFWFLSA-N 1 0 289.463 4.845 50 0 CJAARO CC[C@H](C)c1ccccc1OCCC[NH+]1CCCCCC1 ZINC000002839849 567849446 /nfs/dbraw/zinc/84/94/46/567849446.db2.gz ROXUCRFDTUDWIZ-KRWDZBQOSA-N 1 0 289.463 4.845 50 0 CJAARO CC[C@@H](C)c1ccccc1OCCC[NH2+]C1CCCC1 ZINC000002845013 529431288 /nfs/dbraw/zinc/43/12/88/529431288.db2.gz AWILWAIEQYZUEQ-OAHLLOKOSA-N 1 0 275.436 4.501 50 0 CJAARO CC[C@H](C)c1ccccc1OCCC[NH2+]C1CCCC1 ZINC000002845014 529276146 /nfs/dbraw/zinc/27/61/46/529276146.db2.gz AWILWAIEQYZUEQ-HNNXBMFYSA-N 1 0 275.436 4.501 50 0 CJAARO c1ccc(-c2ccc(OCCC[NH2+]C3CCCC3)cc2)cc1 ZINC000002845029 230367498 /nfs/dbraw/zinc/36/74/98/230367498.db2.gz MYMDEOZVGRYQND-UHFFFAOYSA-N 1 0 295.426 4.655 50 0 CJAARO CCCC[n+]1c2ccccc2sc1CCc1ccccc1 ZINC000002870855 169839298 /nfs/dbraw/zinc/83/92/98/169839298.db2.gz BTVVHNRYOOCSDJ-UHFFFAOYSA-N 1 0 296.459 4.774 50 0 CJAARO CC[NH+](CC)CCCCCOc1ccccc1C(C)(C)C ZINC000002880502 169840708 /nfs/dbraw/zinc/84/07/08/169840708.db2.gz KWKAJNDAVYUMQR-UHFFFAOYSA-N 1 0 291.479 4.875 50 0 CJAARO CC[NH+](CC)CCCCCCOc1c(C)cccc1C ZINC000002880520 169840769 /nfs/dbraw/zinc/84/07/69/169840769.db2.gz DTBMIXMFXIZQQL-UHFFFAOYSA-N 1 0 277.452 4.584 50 0 CJAARO CC[NH+](CC)CCCCCOc1ccc(C(C)(C)C)cc1 ZINC000002880553 567850137 /nfs/dbraw/zinc/85/01/37/567850137.db2.gz BOTKIVOLSCICEJ-UHFFFAOYSA-N 1 0 291.479 4.875 50 0 CJAARO CC[NH+](CC)CCCCCOc1cccc2ccccc21 ZINC000002880573 567850164 /nfs/dbraw/zinc/85/01/64/567850164.db2.gz RMGSRKMYCHFRPK-UHFFFAOYSA-N 1 0 285.431 4.731 50 0 CJAARO c1ccc2c(c1)cccc2OCCCCC[NH+]1CCCCC1 ZINC000002880599 169840651 /nfs/dbraw/zinc/84/06/51/169840651.db2.gz DEUUWOFZDIJGPG-UHFFFAOYSA-N 1 0 297.442 4.875 50 0 CJAARO CCCCOc1c(Cl)cc(C[NH2+]CCC)cc1Cl ZINC000002884619 169841375 /nfs/dbraw/zinc/84/13/75/169841375.db2.gz QKHAKDWVHISVDR-UHFFFAOYSA-N 1 0 290.234 4.672 50 0 CJAARO CC[NH+](CC)CCCOc1ccc(Cl)c2ccccc12 ZINC000002885556 567850083 /nfs/dbraw/zinc/85/00/83/567850083.db2.gz ADSHRJZEUUATSU-UHFFFAOYSA-N 1 0 291.822 4.604 50 0 CJAARO c1ccc2c(c1)cccc2OCCCCCC[NH+]1CCCC1 ZINC000002885576 169841544 /nfs/dbraw/zinc/84/15/44/169841544.db2.gz OUTBLYHNIBUPHA-UHFFFAOYSA-N 1 0 297.442 4.875 50 0 CJAARO CC[NH+](CC)CCCCCCOc1ccc(C)cc1C ZINC000002885661 169841467 /nfs/dbraw/zinc/84/14/67/169841467.db2.gz XGEOBOLSBWNMCY-UHFFFAOYSA-N 1 0 277.452 4.584 50 0 CJAARO Cc1ccc(C)c(OCCCCCC[NH+]2CCCCC2)c1 ZINC000002894743 567850227 /nfs/dbraw/zinc/85/02/27/567850227.db2.gz SJBFEDLMVOWHEW-UHFFFAOYSA-N 1 0 289.463 4.729 50 0 CJAARO CC[NH+](CC)CCCCCCOc1cc(C)cc(C)c1 ZINC000002894793 169842516 /nfs/dbraw/zinc/84/25/16/169842516.db2.gz OKBWMVXZUSBPNY-UHFFFAOYSA-N 1 0 277.452 4.584 50 0 CJAARO Cc1cc(C)cc(OCCCCCC[NH+]2CCCCC2)c1 ZINC000002894807 567850334 /nfs/dbraw/zinc/85/03/34/567850334.db2.gz UBFZJGVYFZOHLX-UHFFFAOYSA-N 1 0 289.463 4.729 50 0 CJAARO CC[NH+](CC)CCCCCCOc1cc(C)ccc1C ZINC000002896449 567850115 /nfs/dbraw/zinc/85/01/15/567850115.db2.gz AMZXWBBOZPRTLB-UHFFFAOYSA-N 1 0 277.452 4.584 50 0 CJAARO CCCC[NH2+]CCCCCCOc1ccc(CC)cc1 ZINC000002897795 567850247 /nfs/dbraw/zinc/85/02/47/567850247.db2.gz QDCSNVAPDBVPQM-UHFFFAOYSA-N 1 0 277.452 4.578 50 0 CJAARO CCCC[NH2+]CCCCCOc1cc(C)c(Cl)c(C)c1 ZINC000002897966 567850127 /nfs/dbraw/zinc/85/01/27/567850127.db2.gz GQKXTOSEQIGIER-UHFFFAOYSA-N 1 0 297.870 4.896 50 0 CJAARO CC[NH+](CC)CCCCCCOc1ccc(C)cc1Cl ZINC000002898057 567850318 /nfs/dbraw/zinc/85/03/18/567850318.db2.gz ZKMXGMKEMZPCOM-UHFFFAOYSA-N 1 0 297.870 4.929 50 0 CJAARO CCCC[NH2+]CCCCCCOc1cccc(C)c1C ZINC000002898135 567850362 /nfs/dbraw/zinc/85/03/62/567850362.db2.gz SRILJYVGJPBULA-UHFFFAOYSA-N 1 0 277.452 4.632 50 0 CJAARO CCc1ccc(OCCCCCC[NH+](CC)CC)cc1 ZINC000002898478 567850304 /nfs/dbraw/zinc/85/03/04/567850304.db2.gz IRBAVLKPGTVZRE-UHFFFAOYSA-N 1 0 277.452 4.530 50 0 CJAARO CC[NH+](CC)CCCCCCOc1c(C)cc(C)cc1C ZINC000002898647 567850154 /nfs/dbraw/zinc/85/01/54/567850154.db2.gz QBUKEDCGEMGLLC-UHFFFAOYSA-N 1 0 291.479 4.893 50 0 CJAARO CCCC[NH2+]CCCCOc1ccccc1C(C)(C)C ZINC000002899112 567850339 /nfs/dbraw/zinc/85/03/39/567850339.db2.gz UHLBLTJRFPQPCH-UHFFFAOYSA-N 1 0 277.452 4.533 50 0 CJAARO CCCC[NH2+]CCCCCOc1ccccc1C(C)C ZINC000002899542 567850249 /nfs/dbraw/zinc/85/02/49/567850249.db2.gz VDKIZRAKUFOEGJ-UHFFFAOYSA-N 1 0 277.452 4.749 50 0 CJAARO CCCC[NH2+]CCCCCOc1ccc(C(C)(C)C)cc1 ZINC000002899650 567850272 /nfs/dbraw/zinc/85/02/72/567850272.db2.gz ZIYHQDFZFILDMV-UHFFFAOYSA-N 1 0 291.479 4.923 50 0 CJAARO CCCC[NH2+]CCCCCCOc1c(C)cccc1C ZINC000002900069 567850391 /nfs/dbraw/zinc/85/03/91/567850391.db2.gz KGOIMMNVCWJTQG-UHFFFAOYSA-N 1 0 277.452 4.632 50 0 CJAARO CCCC[NH2+]CCCCOc1cccc(Cl)c1Cl ZINC000002900097 567850385 /nfs/dbraw/zinc/85/03/85/567850385.db2.gz DUXBKQSNPPJHOI-UHFFFAOYSA-N 1 0 290.234 4.542 50 0 CJAARO CCCC[NH2+]CCCCCCOc1cc(C)cc(C)c1 ZINC000002900207 169842922 /nfs/dbraw/zinc/84/29/22/169842922.db2.gz SDEKVQILIITXAS-UHFFFAOYSA-N 1 0 277.452 4.632 50 0 CJAARO CCCC[NH2+]CCCCCOc1ccc2ccccc2c1 ZINC000002900300 567850148 /nfs/dbraw/zinc/85/01/48/567850148.db2.gz HQKBRAKZBCPORP-UHFFFAOYSA-N 1 0 285.431 4.779 50 0 CJAARO CC(C)(C)[NH2+]CCCCOc1cccc(Cl)c1Cl ZINC000002900377 169842843 /nfs/dbraw/zinc/84/28/43/169842843.db2.gz DJTJMFCDFPBYGA-UHFFFAOYSA-N 1 0 290.234 4.541 50 0 CJAARO CCCC[NH2+]CCCCOc1ccc(C(C)(C)C)cc1 ZINC000002900423 169843066 /nfs/dbraw/zinc/84/30/66/169843066.db2.gz NRKHIPPXMZPEDX-UHFFFAOYSA-N 1 0 277.452 4.533 50 0 CJAARO Cc1cc(C)c(OCCCCCC[NH+]2CCCC2)c(C)c1 ZINC000002900478 567850323 /nfs/dbraw/zinc/85/03/23/567850323.db2.gz BWMJHPOJJSDTSU-UHFFFAOYSA-N 1 0 289.463 4.647 50 0 CJAARO CC[NH+](CC)CCCCCCOc1c(C)cccc1Cl ZINC000002900880 169843109 /nfs/dbraw/zinc/84/31/09/169843109.db2.gz WHCYLSJLXDQKOQ-UHFFFAOYSA-N 1 0 297.870 4.929 50 0 CJAARO CCCC[NH2+]CCCCCOc1ccc(Cl)c(C)c1 ZINC000002901220 567850535 /nfs/dbraw/zinc/85/05/35/567850535.db2.gz AUWUTPKLHJWFPW-UHFFFAOYSA-N 1 0 283.843 4.587 50 0 CJAARO CCCC[NH2+]CCCCCOc1c(C)cc(C)cc1C ZINC000002901489 567850740 /nfs/dbraw/zinc/85/07/40/567850740.db2.gz FJAVXMLDGVLBLO-UHFFFAOYSA-N 1 0 277.452 4.551 50 0 CJAARO CCCC[NH2+]CCCCCOc1cccc2ccccc21 ZINC000002901683 567850730 /nfs/dbraw/zinc/85/07/30/567850730.db2.gz AVHQWFDTAVZRJU-UHFFFAOYSA-N 1 0 285.431 4.779 50 0 CJAARO CCCC[NH2+]CCCCOc1ccc(Cl)cc1Cl ZINC000002902105 567850582 /nfs/dbraw/zinc/85/05/82/567850582.db2.gz KCKZDCKGBWBCOK-UHFFFAOYSA-N 1 0 290.234 4.542 50 0 CJAARO CC[NH+](CC)CCCCCOc1c(C)cc(C)cc1C ZINC000002902141 567850558 /nfs/dbraw/zinc/85/05/58/567850558.db2.gz ZWXBYTQTZNQOOL-UHFFFAOYSA-N 1 0 277.452 4.503 50 0 CJAARO CC(C)(C)[NH2+]CCCCOc1ccc(C(C)(C)C)cc1 ZINC000002902605 567937867 /nfs/dbraw/zinc/93/78/67/567937867.db2.gz QKWKYPXWCUKDPE-UHFFFAOYSA-N 1 0 277.452 4.531 50 0 CJAARO CCCC[NH2+]CCCCCCOc1ccccc1CC ZINC000002902716 567850735 /nfs/dbraw/zinc/85/07/35/567850735.db2.gz QSYWNBQLSZQWTO-UHFFFAOYSA-N 1 0 277.452 4.578 50 0 CJAARO CCCC[NH2+]CCCCCCOc1ccccc1Cl ZINC000002902802 567850575 /nfs/dbraw/zinc/85/05/75/567850575.db2.gz ZDZLZPOPOCRDKF-UHFFFAOYSA-N 1 0 283.843 4.669 50 0 CJAARO CCCC[NH2+]CCCCCOc1ccc(C(C)C)cc1 ZINC000002902804 169843480 /nfs/dbraw/zinc/84/34/80/169843480.db2.gz NDAZDHBDQSAQGZ-UHFFFAOYSA-N 1 0 277.452 4.749 50 0 CJAARO CC(C)(C)[NH2+]CCCCOc1ccc(Cl)cc1Cl ZINC000002902919 567850705 /nfs/dbraw/zinc/85/07/05/567850705.db2.gz ZPILSOCXEKQLML-UHFFFAOYSA-N 1 0 290.234 4.541 50 0 CJAARO CC(C)(C)[NH2+]CCCCOc1c(Cl)cccc1Cl ZINC000002903047 567850502 /nfs/dbraw/zinc/85/05/02/567850502.db2.gz ZKVJXPKNMJXSGG-UHFFFAOYSA-N 1 0 290.234 4.541 50 0 CJAARO CCCC[NH2+]CCCCCCOc1ccc(C)c(C)c1 ZINC000002903112 169843191 /nfs/dbraw/zinc/84/31/91/169843191.db2.gz WKAJMOPIBMNYTD-UHFFFAOYSA-N 1 0 277.452 4.632 50 0 CJAARO Cc1cc(Cl)cc(C)c1OCCCC[NH+]1CCCCC1 ZINC000002903210 567850756 /nfs/dbraw/zinc/85/07/56/567850756.db2.gz CRVRDSKZPKVDEN-UHFFFAOYSA-N 1 0 295.854 4.602 50 0 CJAARO Cc1cc(C)c(OCCCCC[NH+]2CCCCC2)c(C)c1 ZINC000002903370 567850526 /nfs/dbraw/zinc/85/05/26/567850526.db2.gz QCTLASQTAJLLME-UHFFFAOYSA-N 1 0 289.463 4.647 50 0 CJAARO CC[NH+](CC)CCCCCOc1c(C)cc(Cl)cc1C ZINC000002903403 567850524 /nfs/dbraw/zinc/85/05/24/567850524.db2.gz SCGWEGKZKFOHLH-UHFFFAOYSA-N 1 0 297.870 4.848 50 0 CJAARO CCc1ccc(OCCCCCC[NH+]2CCCCC2)cc1 ZINC000002903434 169843448 /nfs/dbraw/zinc/84/34/48/169843448.db2.gz YNUQMVOWWTVCQE-UHFFFAOYSA-N 1 0 289.463 4.674 50 0 CJAARO CC(C)(C)[NH2+]CCCCOc1ccccc1C(C)(C)C ZINC000002903496 169843386 /nfs/dbraw/zinc/84/33/86/169843386.db2.gz IITCIVJAQUUTHK-UHFFFAOYSA-N 1 0 277.452 4.531 50 0 CJAARO Cc1cc(Cl)cc(C)c1OCCCCC[NH+]1CCCC1 ZINC000002903661 567850505 /nfs/dbraw/zinc/85/05/05/567850505.db2.gz TUEJAEVJUBLQQN-UHFFFAOYSA-N 1 0 295.854 4.602 50 0 CJAARO Cc1cc(Cl)ccc1OCCC[N@@H+](C)C1CCCCC1 ZINC000002931249 567850479 /nfs/dbraw/zinc/85/04/79/567850479.db2.gz XVLQDFLOEVGEOT-UHFFFAOYSA-N 1 0 295.854 4.682 50 0 CJAARO Cc1cc(C)c(OCCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000002931267 567850637 /nfs/dbraw/zinc/85/06/37/567850637.db2.gz UBJWHQYCTUYSGT-UHFFFAOYSA-N 1 0 295.854 4.602 50 0 CJAARO CCCC[NH2+]CCCCOc1cc(Cl)ccc1Cl ZINC000002931275 567850562 /nfs/dbraw/zinc/85/05/62/567850562.db2.gz QXEWFQJJPMLVNJ-UHFFFAOYSA-N 1 0 290.234 4.542 50 0 CJAARO Cc1ccc(OCCCC[NH2+]C(C)(C)C)c(C(C)(C)C)c1 ZINC000002931285 567937840 /nfs/dbraw/zinc/93/78/40/567937840.db2.gz SKDFPRLPUPKYFA-UHFFFAOYSA-N 1 0 291.479 4.840 50 0 CJAARO CC(C)c1cccc(C(C)C)c1OCC[NH2+]C(C)(C)C ZINC000002931408 567937897 /nfs/dbraw/zinc/93/78/97/567937897.db2.gz ZFPHAPBYDCXLTE-UHFFFAOYSA-N 1 0 277.452 4.700 50 0 CJAARO CC(C)(C)[NH2+]CCCCOc1cc(Cl)ccc1Cl ZINC000002931815 567850494 /nfs/dbraw/zinc/85/04/94/567850494.db2.gz XPIDGLVNSXXQOQ-UHFFFAOYSA-N 1 0 290.234 4.541 50 0 CJAARO Cc1cc(Cl)cc(C)c1OCCCC[NH2+]C(C)(C)C ZINC000002932089 169844869 /nfs/dbraw/zinc/84/48/69/169844869.db2.gz UTTDYXXJZANQAB-UHFFFAOYSA-N 1 0 283.843 4.504 50 0 CJAARO CCCC[NH2+]CCCCOc1ccc(C)cc1C(C)(C)C ZINC000002932245 169844915 /nfs/dbraw/zinc/84/49/15/169844915.db2.gz ZVFPENHZYJJOBU-UHFFFAOYSA-N 1 0 291.479 4.841 50 0 CJAARO Cc1cc(OCCCC[NH2+]C(C)(C)C)cc(C)c1Cl ZINC000002932774 169844610 /nfs/dbraw/zinc/84/46/10/169844610.db2.gz NYPKLEOHRMYJFT-UHFFFAOYSA-N 1 0 283.843 4.504 50 0 CJAARO Cc1ccc(OCCCC[NH+]2CCCC2)c(C(C)(C)C)c1 ZINC000002933449 567850512 /nfs/dbraw/zinc/85/05/12/567850512.db2.gz FYDOVGAROPATMB-UHFFFAOYSA-N 1 0 289.463 4.547 50 0 CJAARO Cc1cc(OCCCC[NH+]2CCC(C)CC2)ccc1Cl ZINC000002954810 567850644 /nfs/dbraw/zinc/85/06/44/567850644.db2.gz CSFNGVYZENYPKJ-UHFFFAOYSA-N 1 0 295.854 4.539 50 0 CJAARO Cc1ccc(Cl)c(OCCCC[NH+]2CCC(C)CC2)c1 ZINC000002955942 567850721 /nfs/dbraw/zinc/85/07/21/567850721.db2.gz MKTJLMPAHYWXIB-UHFFFAOYSA-N 1 0 295.854 4.539 50 0 CJAARO CC(C)c1cccc(OCCCC[NH+]2CCC(C)CC2)c1 ZINC000002956417 567850738 /nfs/dbraw/zinc/85/07/38/567850738.db2.gz IEPIDJNRTPBMBR-UHFFFAOYSA-N 1 0 289.463 4.701 50 0 CJAARO Cc1cccc(C)c1OCCCCC[NH+]1CCC(C)CC1 ZINC000002956447 567850484 /nfs/dbraw/zinc/85/04/84/567850484.db2.gz SKVBXBLXXZMFJG-UHFFFAOYSA-N 1 0 289.463 4.584 50 0 CJAARO CC1CC[NH+](CCCCOc2ccc3ccccc3c2)CC1 ZINC000002957395 169846114 /nfs/dbraw/zinc/84/61/14/169846114.db2.gz ADCVNKHFYAXLDA-UHFFFAOYSA-N 1 0 297.442 4.731 50 0 CJAARO Cc1cc(Cl)ccc1OCCCC[NH+]1CCC(C)CC1 ZINC000002957489 524907630 /nfs/dbraw/zinc/90/76/30/524907630.db2.gz PMLUDOACWQDMOK-UHFFFAOYSA-N 1 0 295.854 4.539 50 0 CJAARO Cc1cc(OCCCC[NH+]2CCCCC2)ccc1C(C)C ZINC000003000430 169848621 /nfs/dbraw/zinc/84/86/21/169848621.db2.gz SXYGNUBQFGYGIW-UHFFFAOYSA-N 1 0 289.463 4.763 50 0 CJAARO CCCC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000003000638 567851018 /nfs/dbraw/zinc/85/10/18/567851018.db2.gz IPRSGUSCNWLWSJ-UHFFFAOYSA-N 1 0 283.415 4.512 50 0 CJAARO CCCC[NH2+]CCCCOc1ccc(C(C)C)c(C)c1 ZINC000003000812 169848447 /nfs/dbraw/zinc/84/84/47/169848447.db2.gz GMMRKYAUWVGRLN-UHFFFAOYSA-N 1 0 277.452 4.667 50 0 CJAARO CCC(C)(C)c1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000003000849 169848291 /nfs/dbraw/zinc/84/82/91/169848291.db2.gz WEOZIVFMJHBKKL-UHFFFAOYSA-N 1 0 289.463 4.629 50 0 CJAARO Cc1ccc(C(C)C)c(OCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000003000939 567850955 /nfs/dbraw/zinc/85/09/55/567850955.db2.gz XYZHVPDNJGYOKL-QGZVFWFLSA-N 1 0 289.463 4.619 50 0 CJAARO Cc1ccc(C(C)C)c(OCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000003000941 567851003 /nfs/dbraw/zinc/85/10/03/567851003.db2.gz XYZHVPDNJGYOKL-KRWDZBQOSA-N 1 0 289.463 4.619 50 0 CJAARO CC[NH+](CC)CCCCOc1cc(C)ccc1C(C)(C)C ZINC000003001151 567850999 /nfs/dbraw/zinc/85/09/99/567850999.db2.gz IGKIVCHNXUPRLD-UHFFFAOYSA-N 1 0 291.479 4.793 50 0 CJAARO Cc1ccc(C(C)C)c(OCCC[NH2+]Cc2ccccc2)c1 ZINC000003001732 567850976 /nfs/dbraw/zinc/85/09/76/567850976.db2.gz YDYCPZIPGPQPHW-UHFFFAOYSA-N 1 0 297.442 4.677 50 0 CJAARO Cc1cc(OCCC[NH+]2CCC(C)CC2)cc(C(C)C)c1 ZINC000003001764 567850838 /nfs/dbraw/zinc/85/08/38/567850838.db2.gz QWOJVBGKUHZQIW-UHFFFAOYSA-N 1 0 289.463 4.619 50 0 CJAARO Cc1ccc(OCCCC[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000003001767 567850962 /nfs/dbraw/zinc/85/09/62/567850962.db2.gz HPUYVTVIJHBBHZ-UHFFFAOYSA-N 1 0 297.442 4.594 50 0 CJAARO CC(C)[NH2+]CCCCOc1ccccc1-c1ccccc1 ZINC000003001807 570278690 /nfs/dbraw/zinc/27/86/90/570278690.db2.gz PTTDYHRQNKYRLV-UHFFFAOYSA-N 1 0 283.415 4.511 50 0 CJAARO CCCC[NH2+]CCCCOc1c(C)cccc1C(C)(C)C ZINC000003001926 567851198 /nfs/dbraw/zinc/85/11/98/567851198.db2.gz JJMKWZGBCWUXDS-UHFFFAOYSA-N 1 0 291.479 4.841 50 0 CJAARO CC[C@@H](C)c1ccccc1OCCCC[NH+](CC)CC ZINC000003001972 567851423 /nfs/dbraw/zinc/85/14/23/567851423.db2.gz AOZBSTVIVYZVMQ-MRXNPFEDSA-N 1 0 277.452 4.701 50 0 CJAARO CC[C@H](C)c1ccccc1OCCCC[NH+](CC)CC ZINC000003001973 567851425 /nfs/dbraw/zinc/85/14/25/567851425.db2.gz AOZBSTVIVYZVMQ-INIZCTEOSA-N 1 0 277.452 4.701 50 0 CJAARO c1ccc(-c2ccccc2OCCCC[NH+]2CCCC2)cc1 ZINC000003002021 567851276 /nfs/dbraw/zinc/85/12/76/567851276.db2.gz NUPDSLFOVKBXOQ-UHFFFAOYSA-N 1 0 295.426 4.608 50 0 CJAARO CC(C)(C)[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003002198 567851481 /nfs/dbraw/zinc/85/14/81/567851481.db2.gz OEBXAJZBCCQUJV-UHFFFAOYSA-N 1 0 297.870 4.795 50 0 CJAARO Cc1cc(C(C)(C)C)ccc1OCCC[NH+]1CCCCC1 ZINC000003003065 567851312 /nfs/dbraw/zinc/85/13/12/567851312.db2.gz ACCZAUQUUUSDFB-UHFFFAOYSA-N 1 0 289.463 4.547 50 0 CJAARO CCCC[NH2+]CCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003003213 567851335 /nfs/dbraw/zinc/85/13/35/567851335.db2.gz BMEGGSSXFQAJQT-UHFFFAOYSA-N 1 0 297.870 4.796 50 0 CJAARO Cc1cc(C(C)(C)C)ccc1OCCCC[NH+]1CCCC1 ZINC000003003336 567851363 /nfs/dbraw/zinc/85/13/63/567851363.db2.gz UISYEFIZPZGKAQ-UHFFFAOYSA-N 1 0 289.463 4.547 50 0 CJAARO Cc1cc(OCCC[NH+]2CCC(C)CC2)ccc1C(C)C ZINC000003003655 567851223 /nfs/dbraw/zinc/85/12/23/567851223.db2.gz MZXAABDIUKYPSY-UHFFFAOYSA-N 1 0 289.463 4.619 50 0 CJAARO Cc1ccc(Cl)c(OCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000003003700 567851149 /nfs/dbraw/zinc/85/11/49/567851149.db2.gz QVUSWCYMMUOHHI-OAHLLOKOSA-N 1 0 295.854 4.539 50 0 CJAARO Cc1ccc(Cl)c(OCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000003003702 567851213 /nfs/dbraw/zinc/85/12/13/567851213.db2.gz QVUSWCYMMUOHHI-HNNXBMFYSA-N 1 0 295.854 4.539 50 0 CJAARO CC(C)(C)c1cc(Cl)ccc1OCCC[NH+]1CCCC1 ZINC000003003756 567851173 /nfs/dbraw/zinc/85/11/73/567851173.db2.gz LUTPPSFKIMZCMQ-UHFFFAOYSA-N 1 0 295.854 4.502 50 0 CJAARO Cc1cc(C)c(C)c(OCCCCC[NH+]2CCCCC2)c1 ZINC000003106109 169856895 /nfs/dbraw/zinc/85/68/95/169856895.db2.gz FCEPFCGRCQQLOV-UHFFFAOYSA-N 1 0 289.463 4.647 50 0 CJAARO c1ccc(-c2ccccc2[N+]2=Cc3ccccc3CC2)cc1 ZINC000003200668 567058558 /nfs/dbraw/zinc/05/85/58/567058558.db2.gz PTRMEWQNOJWHQQ-UHFFFAOYSA-N 1 0 284.382 4.673 50 0 CJAARO Cc1cc(C)c(OCCCCC[NH+]2CCCC2)c(Cl)c1 ZINC000003337117 567170434 /nfs/dbraw/zinc/17/04/34/567170434.db2.gz KNVKRSFHLDFNSC-UHFFFAOYSA-N 1 0 295.854 4.602 50 0 CJAARO CCCC[N@H+](C)CCCOc1cc(C)ccc1C(C)C ZINC000003461055 567852664 /nfs/dbraw/zinc/85/26/64/567852664.db2.gz SAZOBPUGCFQXGS-UHFFFAOYSA-N 1 0 277.452 4.619 50 0 CJAARO Cc1ccc(C(C)(C)C)c(OCCCC[NH+]2CCCC2)c1 ZINC000003461520 169889731 /nfs/dbraw/zinc/88/97/31/169889731.db2.gz PGDQVXNYFYSOFA-UHFFFAOYSA-N 1 0 289.463 4.547 50 0 CJAARO C(C[NH+]1CCCCC1)=C(c1ccccc1)c1ccccc1 ZINC000003626043 570328066 /nfs/dbraw/zinc/32/80/66/570328066.db2.gz MOCURCBRVYTAME-UHFFFAOYSA-N 1 0 277.411 4.604 50 0 CJAARO Cc1cc(C)cc(OCCCCC[NH+]2CCC(C)CC2)c1 ZINC000003633587 567180243 /nfs/dbraw/zinc/18/02/43/567180243.db2.gz FPCGLKMVPREIEP-UHFFFAOYSA-N 1 0 289.463 4.584 50 0 CJAARO CC[C@H]1CCCC[N@@H+]1CCCCOc1cccc(Cl)c1 ZINC000003633601 567180357 /nfs/dbraw/zinc/18/03/57/567180357.db2.gz MZDPHEFACOEMHC-INIZCTEOSA-N 1 0 295.854 4.764 50 0 CJAARO CC[C@@H]1CCCC[N@@H+]1CCCCOc1cccc(Cl)c1 ZINC000003633602 567180205 /nfs/dbraw/zinc/18/02/05/567180205.db2.gz MZDPHEFACOEMHC-MRXNPFEDSA-N 1 0 295.854 4.764 50 0 CJAARO CC1CC[NH+](CCCCCOc2cccc(Cl)c2)CC1 ZINC000003633607 169904755 /nfs/dbraw/zinc/90/47/55/169904755.db2.gz HHCAPUAPTFERAC-UHFFFAOYSA-N 1 0 295.854 4.621 50 0 CJAARO CC(C)c1ccc(OCCCCC[NH+]2CCCCC2)cc1 ZINC000003633618 566984248 /nfs/dbraw/zinc/98/42/48/566984248.db2.gz WLYHKGNCKHVDSY-UHFFFAOYSA-N 1 0 289.463 4.845 50 0 CJAARO CCn1c2ccccc2c2cc(C[NH+]3CCCCC3)ccc21 ZINC000003682154 567888230 /nfs/dbraw/zinc/88/82/30/567888230.db2.gz XDUKCYQTONVOCG-UHFFFAOYSA-N 1 0 292.426 4.800 50 0 CJAARO c1ccc(Oc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000003684361 567853639 /nfs/dbraw/zinc/85/36/39/567853639.db2.gz ICWXCVRERMFVJV-UHFFFAOYSA-N 1 0 281.399 4.855 50 0 CJAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH3+])CCC[C@]21C ZINC000003860856 566975346 /nfs/dbraw/zinc/97/53/46/566975346.db2.gz JVVXZOOGOGPDRZ-SLFFLAALSA-N 1 0 285.475 4.779 50 0 in-vitro CJAARO C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000003872906 169918832 /nfs/dbraw/zinc/91/88/32/169918832.db2.gz SVFXPTLYMIXFRX-XJKSGUPXSA-N 1 0 292.209 4.790 50 0 investigational CJAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH3+])CCC[C@]21C ZINC000003947435 567854672 /nfs/dbraw/zinc/85/46/72/567854672.db2.gz JVVXZOOGOGPDRZ-HSALFYBXSA-N 1 0 285.475 4.779 50 0 in-vitro CJAARO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH3+])CCC[C@@]21C ZINC000003947436 169925781 /nfs/dbraw/zinc/92/57/81/169925781.db2.gz JVVXZOOGOGPDRZ-UFYCRDLUSA-N 1 0 285.475 4.779 50 0 in-vitro CJAARO CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(C[NH3+])CCC[C@@]21C ZINC000003947437 566974550 /nfs/dbraw/zinc/97/45/50/566974550.db2.gz JVVXZOOGOGPDRZ-AABGKKOBSA-N 1 0 285.475 4.779 50 0 in-vitro CJAARO C1=C(c2ccccc2)[NH2+]N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000004016833 567854661 /nfs/dbraw/zinc/85/46/61/567854661.db2.gz FBNAYEYTRHHEOB-NRFANRHFSA-N 1 0 298.389 4.794 50 0 CJAARO C1=C(c2ccccc2)[NH2+]N(c2ccccc2)[C@H]1c1ccccc1 ZINC000004016834 567854584 /nfs/dbraw/zinc/85/45/84/567854584.db2.gz FBNAYEYTRHHEOB-OAQYLSRUSA-N 1 0 298.389 4.794 50 0 CJAARO CCC[C@@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000004028666 567184786 /nfs/dbraw/zinc/18/47/86/567184786.db2.gz OWJXGLSBEBNLMI-FOIQADDNSA-N 1 0 296.458 4.841 50 0 CJAARO CCC[C@H]1CC[C@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000004028667 567184113 /nfs/dbraw/zinc/18/41/13/567184113.db2.gz OWJXGLSBEBNLMI-MGPUTAFESA-N 1 0 296.458 4.841 50 0 CJAARO CCC[C@@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCC[N@H+]2C1 ZINC000004028668 567184137 /nfs/dbraw/zinc/18/41/37/567184137.db2.gz OWJXGLSBEBNLMI-QRWLVFNGSA-N 1 0 296.458 4.841 50 0 CJAARO Cc1cc(Nc2ccc(F)cc2)c2cccc(C)c2[nH+]1 ZINC000004056166 567855073 /nfs/dbraw/zinc/85/50/73/567855073.db2.gz ZLMLGGRHEBCYAP-UHFFFAOYSA-N 1 0 266.319 4.734 50 0 CJAARO CCC[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21 ZINC000004065081 528532014 /nfs/dbraw/zinc/53/20/14/528532014.db2.gz FNVCFMJIIBRLRZ-UHFFFAOYSA-N 1 0 299.397 4.753 50 0 CJAARO CC(C)CC[C@@H](CC[NH+]1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000004089876 567187657 /nfs/dbraw/zinc/18/76/57/567187657.db2.gz OELYOMNCNGHMHR-ZWKOTPCHSA-N 1 0 295.511 4.730 50 0 CJAARO CC(C)CC[C@H](CC[NH+]1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000004089878 566858231 /nfs/dbraw/zinc/85/82/31/566858231.db2.gz OELYOMNCNGHMHR-QZTJIDSGSA-N 1 0 295.511 4.730 50 0 CJAARO CC(C)CC[C@@H](CC[NH+]1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000004089879 566857876 /nfs/dbraw/zinc/85/78/76/566857876.db2.gz OELYOMNCNGHMHR-ROUUACIJSA-N 1 0 295.511 4.730 50 0 CJAARO CC(C)CC[C@H](CC[NH+]1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000004089880 566858372 /nfs/dbraw/zinc/85/83/72/566858372.db2.gz OELYOMNCNGHMHR-MSOLQXFVSA-N 1 0 295.511 4.730 50 0 CJAARO Clc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000004105948 567187458 /nfs/dbraw/zinc/18/74/58/567187458.db2.gz DHOGBBPTQYJAQA-UHFFFAOYSA-N 1 0 285.818 4.720 50 0 CJAARO C[NH+](C)Cc1ccccc1Sc1ccc2c(c1)CCCC2 ZINC000004128444 567186051 /nfs/dbraw/zinc/18/60/51/567186051.db2.gz DVLUMXSRCRLLMQ-UHFFFAOYSA-N 1 0 297.467 4.778 50 0 CJAARO C[n+]1c(/C=C/c2ccccc2Cl)sc2ccccc21 ZINC000004158946 169939469 /nfs/dbraw/zinc/93/94/69/169939469.db2.gz LGXUCPIPLWTLIG-ZHACJKMWSA-N 1 0 286.807 4.550 50 0 CJAARO Cc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1F ZINC000004192756 567189118 /nfs/dbraw/zinc/18/91/18/567189118.db2.gz CEJLMNNTBNWRGK-UHFFFAOYSA-N 1 0 292.357 4.915 50 0 CJAARO C[C@H]([NH2+]Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004222990 567856228 /nfs/dbraw/zinc/85/62/28/567856228.db2.gz WSYOSPIOQLKSRK-GOBPUOAWSA-N 1 0 287.422 4.520 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004222991 567856354 /nfs/dbraw/zinc/85/63/54/567856354.db2.gz WSYOSPIOQLKSRK-SALMBKGGSA-N 1 0 287.422 4.520 50 0 CJAARO c1ccc(-c2cc([C@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000004237578 169946793 /nfs/dbraw/zinc/94/67/93/169946793.db2.gz CTWLVOJVVMWDGE-GOSISDBHSA-N 1 0 288.394 4.716 50 0 CJAARO C[C@H]([NH2+]Cc1ccccc1)c1ccc2ccccc2c1 ZINC000004240729 567193095 /nfs/dbraw/zinc/19/30/95/567193095.db2.gz KKEGSDYZJIGUIY-HNNXBMFYSA-N 1 0 261.368 4.691 50 0 CJAARO C[C@@H]([NH2+]Cc1ccccc1)c1ccc2ccccc2c1 ZINC000004240730 567192315 /nfs/dbraw/zinc/19/23/15/567192315.db2.gz KKEGSDYZJIGUIY-OAHLLOKOSA-N 1 0 261.368 4.691 50 0 CJAARO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000004267247 567856755 /nfs/dbraw/zinc/85/67/55/567856755.db2.gz QSEFPIINCQMDAV-HNNXBMFYSA-N 1 0 253.389 4.661 50 0 CJAARO CC(C)c1ccc(C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000004267249 567856574 /nfs/dbraw/zinc/85/65/74/567856574.db2.gz QSEFPIINCQMDAV-OAHLLOKOSA-N 1 0 253.389 4.661 50 0 CJAARO C[C@H]([NH2+]Cc1cccc2ccccc21)c1ccccc1 ZINC000004269363 169951467 /nfs/dbraw/zinc/95/14/67/169951467.db2.gz ZHBRSTZUNUZOJO-HNNXBMFYSA-N 1 0 261.368 4.691 50 0 CJAARO Cc1c(C)c(C)c(C[N@H+]2CCCC[C@@H]2C)c(C)c1C ZINC000004322049 567856518 /nfs/dbraw/zinc/85/65/18/567856518.db2.gz IBRLIOWTTKEVPB-LBPRGKRZSA-N 1 0 259.437 4.603 50 0 CJAARO Cc1c(C)c(C)c(C[N@H+]2CCCC[C@H]2C)c(C)c1C ZINC000004322050 567856569 /nfs/dbraw/zinc/85/65/69/567856569.db2.gz IBRLIOWTTKEVPB-GFCCVEGCSA-N 1 0 259.437 4.603 50 0 CJAARO Cc1c(C)c(C)c(C[NH+]2CCCCCC2)c(C)c1C ZINC000004322672 567856664 /nfs/dbraw/zinc/85/66/64/567856664.db2.gz PMZJCJSYQROONM-UHFFFAOYSA-N 1 0 259.437 4.605 50 0 CJAARO Cc1cc(C)c2[nH+]c(C)cc(NCCc3ccccc3)c2c1 ZINC000004340615 567863358 /nfs/dbraw/zinc/86/33/58/567863358.db2.gz DGQMTJNMBABPQS-UHFFFAOYSA-N 1 0 290.410 4.815 50 0 CJAARO CC(C)(C)[NH2+]CCCCCOc1cccc2ccccc21 ZINC000004472855 169969831 /nfs/dbraw/zinc/96/98/31/169969831.db2.gz YGTCHNIGILNJAI-UHFFFAOYSA-N 1 0 285.431 4.777 50 0 CJAARO CSc1ccc2nc(N3CCCCCC3)cc(C)c2c1 ZINC000004477525 567857739 /nfs/dbraw/zinc/85/77/39/567857739.db2.gz FWRNQCTVOGQEHX-UHFFFAOYSA-N 1 0 286.444 4.646 50 0 CJAARO CCO/C(C)=C\c1sc2ccc3ccccc3c2[n+]1CC ZINC000004514907 567868649 /nfs/dbraw/zinc/86/86/49/567868649.db2.gz HNGPMBFPHSARCW-SEYXRHQNSA-N 1 0 298.431 4.759 50 0 CJAARO CC(C)Nc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000004541740 566910216 /nfs/dbraw/zinc/91/02/16/566910216.db2.gz LMTXKFFRXGLJEU-UHFFFAOYSA-N 1 0 262.356 4.722 50 0 CJAARO COc1ccc(-c2cc(NC(C)C)c3ccccc3[nH+]2)cc1 ZINC000004542891 566912134 /nfs/dbraw/zinc/91/21/34/566912134.db2.gz WSOSSZGABLNSMU-UHFFFAOYSA-N 1 0 292.382 4.731 50 0 CJAARO CCCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000004600011 570235385 /nfs/dbraw/zinc/23/53/85/570235385.db2.gz ADEFHLXMIVLHGT-UHFFFAOYSA-N 1 0 271.379 4.628 50 0 CJAARO CCCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000004615060 567894055 /nfs/dbraw/zinc/89/40/55/567894055.db2.gz VRCWKJQOKDGBEQ-UHFFFAOYSA-N 1 0 271.379 4.628 50 0 CJAARO c1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000004656781 567858647 /nfs/dbraw/zinc/85/86/47/567858647.db2.gz RSTFPRQYGUIJDX-UHFFFAOYSA-N 1 0 273.379 4.643 50 0 CJAARO CCc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004672198 169996425 /nfs/dbraw/zinc/99/64/25/169996425.db2.gz LAXJACRAILSLJK-UHFFFAOYSA-N 1 0 293.454 4.704 50 0 CJAARO CN(Cc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000004688981 567901905 /nfs/dbraw/zinc/90/19/05/567901905.db2.gz XTLGEQXWLXXMJL-UHFFFAOYSA-N 1 0 280.198 4.625 50 0 CJAARO Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000004688983 570215995 /nfs/dbraw/zinc/21/59/95/570215995.db2.gz AZVSLFFLGBGEFS-UHFFFAOYSA-N 1 0 280.198 4.592 50 0 CJAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc2ccccc21 ZINC000004695055 170000377 /nfs/dbraw/zinc/00/03/77/170000377.db2.gz UABBWJCLLKRGSR-KRWDZBQOSA-N 1 0 289.422 4.951 50 0 CJAARO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc2ccccc21 ZINC000004695056 170000105 /nfs/dbraw/zinc/00/01/05/170000105.db2.gz UABBWJCLLKRGSR-QGZVFWFLSA-N 1 0 289.422 4.951 50 0 CJAARO C[N@H+](Cc1cccc2ccccc21)C1CCCCC1 ZINC000004695064 170000337 /nfs/dbraw/zinc/00/03/37/170000337.db2.gz OPKBVTHOSDXZAW-UHFFFAOYSA-N 1 0 253.389 4.604 50 0 CJAARO COc1ccc2ccccc2c1C[N@H+](C)C1CCCCC1 ZINC000004695065 170000299 /nfs/dbraw/zinc/00/02/99/170000299.db2.gz QDIUWZKTEXEYTH-UHFFFAOYSA-N 1 0 283.415 4.613 50 0 CJAARO COc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccccc1 ZINC000004695081 170000369 /nfs/dbraw/zinc/00/03/69/170000369.db2.gz FUWCPLHZWRKDKU-HNNXBMFYSA-N 1 0 291.394 4.699 50 0 CJAARO COc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccccc1 ZINC000004695082 170000507 /nfs/dbraw/zinc/00/05/07/170000507.db2.gz FUWCPLHZWRKDKU-OAHLLOKOSA-N 1 0 291.394 4.699 50 0 CJAARO C[C@@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004695094 170000403 /nfs/dbraw/zinc/00/04/03/170000403.db2.gz UFQCZSZYMGXFQP-SFHVURJKSA-N 1 0 293.454 4.745 50 0 CJAARO C[C@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000004695095 170000254 /nfs/dbraw/zinc/00/02/54/170000254.db2.gz UFQCZSZYMGXFQP-GOSISDBHSA-N 1 0 293.454 4.745 50 0 CJAARO CCCCCC[n+]1ccccc1/C=C\c1cccs1 ZINC000004697257 170000700 /nfs/dbraw/zinc/00/07/00/170000700.db2.gz CKYDOXNIOPTETN-QXMHVHEDSA-N 1 0 272.437 4.786 50 0 CJAARO CCC(CC)[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000004700144 170001233 /nfs/dbraw/zinc/00/12/33/170001233.db2.gz NUUSTZJMYNQLQN-UHFFFAOYSA-N 1 0 269.388 4.757 50 0 CJAARO CCCCCc1[nH+]c2ccc(Cl)cn2c1NC(C)(C)C ZINC000004720271 170004636 /nfs/dbraw/zinc/00/46/36/170004636.db2.gz DSSIWTDHYJHQPZ-UHFFFAOYSA-N 1 0 293.842 4.931 50 0 CJAARO Nc1c2ccccc2[nH+]c2c1CCCC[C@H]2c1ccccc1 ZINC000004726097 170006488 /nfs/dbraw/zinc/00/64/88/170006488.db2.gz NKJZWALEDZRCRK-HNNXBMFYSA-N 1 0 288.394 4.675 50 0 CJAARO Nc1c2ccccc2[nH+]c2c1CCCC[C@@H]2c1ccccc1 ZINC000004726098 170006752 /nfs/dbraw/zinc/00/67/52/170006752.db2.gz NKJZWALEDZRCRK-OAHLLOKOSA-N 1 0 288.394 4.675 50 0 CJAARO CC[NH+](CC)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004728667 170007352 /nfs/dbraw/zinc/00/73/52/170007352.db2.gz YJKXQPLKEYFHKG-UHFFFAOYSA-N 1 0 291.479 4.829 50 0 CJAARO CCC[C@H]([NH3+])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004746935 170011204 /nfs/dbraw/zinc/01/12/04/170011204.db2.gz BQMBBHBXJLNFQF-BTCBHJBXSA-N 1 0 283.459 4.954 50 0 CJAARO CCC[C@@H]([NH3+])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004746937 170010857 /nfs/dbraw/zinc/01/08/57/170010857.db2.gz BQMBBHBXJLNFQF-JCFBCRGFSA-N 1 0 283.459 4.954 50 0 CJAARO CC[n+]1c(/C=C/c2ccc(C)cc2)ccc2ccccc21 ZINC000004792189 170017553 /nfs/dbraw/zinc/01/75/53/170017553.db2.gz QUELTOWMNPMXPJ-WYMLVPIESA-N 1 0 274.387 4.626 50 0 CJAARO CC[n+]1c(/C=C/c2ccc(Cl)cc2)ccc2ccccc21 ZINC000004793015 170018243 /nfs/dbraw/zinc/01/82/43/170018243.db2.gz GSRKAEWQWQHVFQ-UKTHLTGXSA-N 1 0 294.805 4.971 50 0 CJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@]3(C)[NH2+]C1CCCCC1 ZINC000004822818 170024146 /nfs/dbraw/zinc/02/41/46/170024146.db2.gz BUQQQAKIMTZBMC-FQEVSTJZSA-N 1 0 296.458 4.950 50 0 CJAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@]3(C)[NH2+]C1CCCCC1 ZINC000004822823 170023704 /nfs/dbraw/zinc/02/37/04/170023704.db2.gz BUQQQAKIMTZBMC-HXUWFJFHSA-N 1 0 296.458 4.950 50 0 CJAARO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000004842555 170028775 /nfs/dbraw/zinc/02/87/75/170028775.db2.gz QUDXPEROGCXLJJ-AWEZNQCLSA-N 1 0 295.357 4.937 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000004842556 170028909 /nfs/dbraw/zinc/02/89/09/170028909.db2.gz QUDXPEROGCXLJJ-CQSZACIVSA-N 1 0 295.357 4.937 50 0 CJAARO Cc1ccc(C(C)C)c(OCC[N@H+](C)Cc2ccccc2)c1 ZINC000004845238 170029697 /nfs/dbraw/zinc/02/96/97/170029697.db2.gz LELCFPICDGUURL-UHFFFAOYSA-N 1 0 297.442 4.629 50 0 CJAARO Cc1ccc(C(C)C)cc1OCCCC[NH+]1CCCCC1 ZINC000004845572 170029636 /nfs/dbraw/zinc/02/96/36/170029636.db2.gz YSTHHLDPUTXDOD-UHFFFAOYSA-N 1 0 289.463 4.763 50 0 CJAARO Cc1cccc2cc(C[NH2+]C3CCCCC3)c(Cl)nc12 ZINC000004861348 170032376 /nfs/dbraw/zinc/03/23/76/170032376.db2.gz QZAREIXBDJCHKW-UHFFFAOYSA-N 1 0 288.822 4.619 50 0 CJAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000004868719 170034380 /nfs/dbraw/zinc/03/43/80/170034380.db2.gz GMKXGRHXRPKNBE-UHFFFAOYSA-N 1 0 295.357 4.684 50 0 CJAARO Clc1ccc(Cl)c(-c2ccc(C[NH2+]C3CC3)o2)c1 ZINC000004868730 170034307 /nfs/dbraw/zinc/03/43/07/170034307.db2.gz VKAMNIMJPFNFIA-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO CCC[NH+](CCC)CCOc1cc(C)ccc1C(C)C ZINC000004906871 170039921 /nfs/dbraw/zinc/03/99/21/170039921.db2.gz HALOVOCCSBRALM-UHFFFAOYSA-N 1 0 277.452 4.619 50 0 CJAARO CC[C@@H](C)c1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000004915155 170040300 /nfs/dbraw/zinc/04/03/00/170040300.db2.gz GIUAIQCDPLJTKQ-DLBZAZTESA-N 1 0 289.463 4.701 50 0 CJAARO CC(C)c1ccc(NCC[NH2+]C2CCCCCC2)cc1 ZINC000004919481 170041052 /nfs/dbraw/zinc/04/10/52/170041052.db2.gz IJWVIRGHKVKPFV-UHFFFAOYSA-N 1 0 274.452 4.534 50 0 CJAARO Fc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1 ZINC000004922261 170041241 /nfs/dbraw/zinc/04/12/41/170041241.db2.gz LZWSQXCXHMHUBP-UHFFFAOYSA-N 1 0 292.357 4.996 50 0 CJAARO Fc1ccccc1Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000004922291 170041320 /nfs/dbraw/zinc/04/13/20/170041320.db2.gz KFMNQQIZMJHIKC-UHFFFAOYSA-N 1 0 292.357 4.996 50 0 CJAARO Clc1ccc(C[NH+]2CCCCCCC2)c(Cl)c1 ZINC000004977442 170048241 /nfs/dbraw/zinc/04/82/41/170048241.db2.gz WYZGSNGUCUUWOY-UHFFFAOYSA-N 1 0 272.219 4.760 50 0 CJAARO Cc1ccc(C)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000004977775 170047974 /nfs/dbraw/zinc/04/79/74/170047974.db2.gz PSTDXGRFHPGTJO-UHFFFAOYSA-N 1 0 293.454 4.758 50 0 CJAARO Clc1cccc(C[NH+]2CCCCCCC2)c1Cl ZINC000004977795 170048149 /nfs/dbraw/zinc/04/81/49/170048149.db2.gz CZENOFBCBKRUBD-UHFFFAOYSA-N 1 0 272.219 4.760 50 0 CJAARO c1ccc(-c2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000004978602 170048277 /nfs/dbraw/zinc/04/82/77/170048277.db2.gz CSKGCOWWQBNKNI-UHFFFAOYSA-N 1 0 295.426 4.608 50 0 CJAARO Cc1ccc(C(C)C)c(OCC[N@H+](C)C2CCCCC2)c1 ZINC000004978627 170048106 /nfs/dbraw/zinc/04/81/06/170048106.db2.gz BBUWGXVMGYJFNS-UHFFFAOYSA-N 1 0 289.463 4.762 50 0 CJAARO c1ccc(-c2ccccc2OCC[NH+]2CCCCCC2)cc1 ZINC000004978737 170048294 /nfs/dbraw/zinc/04/82/94/170048294.db2.gz DGNRHGSDDHIKNN-UHFFFAOYSA-N 1 0 295.426 4.608 50 0 CJAARO Clc1ccc(-c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC000004986039 170049394 /nfs/dbraw/zinc/04/93/94/170049394.db2.gz SRVGRXIHBRWFOL-UHFFFAOYSA-N 1 0 275.779 4.586 50 0 CJAARO CC(C)(C)c1cc(C[NH+]2CCCC2)cc(C(C)(C)C)c1O ZINC000004987124 170049495 /nfs/dbraw/zinc/04/94/95/170049495.db2.gz BGUIPCFRYGAMRO-UHFFFAOYSA-N 1 0 289.463 4.583 50 0 CJAARO CCCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(C)c1 ZINC000004987148 520545397 /nfs/dbraw/zinc/54/53/97/520545397.db2.gz KRWDVYNEZULAGL-UHFFFAOYSA-N 1 0 297.442 4.806 50 0 CJAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c2ccccc12 ZINC000004988055 567888243 /nfs/dbraw/zinc/88/82/43/567888243.db2.gz YCCJWDVJSURJDM-MRXNPFEDSA-N 1 0 283.415 4.613 50 0 CJAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c2ccccc12 ZINC000004988059 567888087 /nfs/dbraw/zinc/88/80/87/567888087.db2.gz YCCJWDVJSURJDM-INIZCTEOSA-N 1 0 283.415 4.613 50 0 CJAARO CC1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004988911 170050241 /nfs/dbraw/zinc/05/02/41/170050241.db2.gz RFNZUNLDWYAMOL-UHFFFAOYSA-N 1 0 281.399 4.711 50 0 CJAARO C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004989027 170049985 /nfs/dbraw/zinc/04/99/85/170049985.db2.gz VAWKTHGPQLDLLH-MRXNPFEDSA-N 1 0 281.399 4.711 50 0 CJAARO C[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004989028 170050011 /nfs/dbraw/zinc/05/00/11/170050011.db2.gz VAWKTHGPQLDLLH-INIZCTEOSA-N 1 0 281.399 4.711 50 0 CJAARO CC(C)(C)C1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1 ZINC000004989355 170049777 /nfs/dbraw/zinc/04/97/77/170049777.db2.gz CFZZVLPWOFAFRO-UHFFFAOYSA-N 1 0 298.474 4.905 50 0 CJAARO Clc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004990227 170050645 /nfs/dbraw/zinc/05/06/45/170050645.db2.gz GNYVZJXAVMJYCL-UHFFFAOYSA-N 1 0 299.845 4.795 50 0 CJAARO Clc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000004990282 170050822 /nfs/dbraw/zinc/05/08/22/170050822.db2.gz JQXCIIWXBQIVOS-UHFFFAOYSA-N 1 0 299.845 4.795 50 0 CJAARO c1ccc(-c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000004990307 170050915 /nfs/dbraw/zinc/05/09/15/170050915.db2.gz UGQIXCRWRGJFNM-UHFFFAOYSA-N 1 0 265.400 4.730 50 0 CJAARO C[N+]1=C(/C=C/c2ccccc2F)C(C)(C)c2ccccc21 ZINC000005008654 170054722 /nfs/dbraw/zinc/05/47/22/170054722.db2.gz XSSPWJZCPFHKAA-OUKQBFOZSA-N 1 0 280.366 4.545 50 0 CJAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000005031687 567888495 /nfs/dbraw/zinc/88/84/95/567888495.db2.gz DJRMOZVLWKMENV-CYBMUJFWSA-N 1 0 289.394 4.573 50 0 CJAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]Cc2cccc(F)c2)o1 ZINC000005031691 567888128 /nfs/dbraw/zinc/88/81/28/567888128.db2.gz DJRMOZVLWKMENV-ZDUSSCGKSA-N 1 0 289.394 4.573 50 0 CJAARO Cc1cc(C)c(OCCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000005101309 170066427 /nfs/dbraw/zinc/06/64/27/170066427.db2.gz LAVMCNSGUAAWOO-UHFFFAOYSA-N 1 0 289.463 4.503 50 0 CJAARO CC(C)c1ccc(OCCCC[NH+]2CCC(C)CC2)cc1 ZINC000005101327 567888526 /nfs/dbraw/zinc/88/85/26/567888526.db2.gz ATFRKFAMOZAHSG-UHFFFAOYSA-N 1 0 289.463 4.701 50 0 CJAARO Cc1cccc(Cl)c1OCCCC[NH+]1CCC(C)CC1 ZINC000005102263 170066402 /nfs/dbraw/zinc/06/64/02/170066402.db2.gz VFKHFQNVWSCERI-UHFFFAOYSA-N 1 0 295.854 4.539 50 0 CJAARO C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1ccccc1 ZINC000005181283 533499334 /nfs/dbraw/zinc/49/93/34/533499334.db2.gz DTMWDBKFHSFBDO-KEDVPNTESA-N 1 0 283.459 4.771 50 0 CJAARO CC(C)CC[C@@H](CC[NH2+]Cc1ccco1)c1ccco1 ZINC000005204621 170076051 /nfs/dbraw/zinc/07/60/51/170076051.db2.gz FEMFSPIVXCQTOB-HNNXBMFYSA-N 1 0 275.392 4.572 50 0 CJAARO CC(C)CC[C@H](CC[NH2+]Cc1ccco1)c1ccco1 ZINC000005204625 170076035 /nfs/dbraw/zinc/07/60/35/170076035.db2.gz FEMFSPIVXCQTOB-OAHLLOKOSA-N 1 0 275.392 4.572 50 0 CJAARO Cc1[nH]c2c(ccc3ccccc23)c1[C@@H]1[C@H](CC[NH3+])C1(C)C ZINC000005477670 170103072 /nfs/dbraw/zinc/10/30/72/170103072.db2.gz RVAAARCEFQOBAS-WMZOPIPTSA-N 1 0 292.426 4.718 50 0 CJAARO Cc1[nH]c2c(ccc3ccccc23)c1[C@H]1[C@H](CC[NH3+])C1(C)C ZINC000005477671 170103067 /nfs/dbraw/zinc/10/30/67/170103067.db2.gz RVAAARCEFQOBAS-FUHWJXTLSA-N 1 0 292.426 4.718 50 0 CJAARO Cc1[nH]c2c(ccc3ccccc23)c1[C@@H]1[C@@H](CC[NH3+])C1(C)C ZINC000005477672 170103267 /nfs/dbraw/zinc/10/32/67/170103267.db2.gz RVAAARCEFQOBAS-AEFFLSMTSA-N 1 0 292.426 4.718 50 0 CJAARO Cc1[nH]c2c(ccc3ccccc23)c1[C@H]1[C@@H](CC[NH3+])C1(C)C ZINC000005477673 170103209 /nfs/dbraw/zinc/10/32/09/170103209.db2.gz RVAAARCEFQOBAS-SJLPKXTDSA-N 1 0 292.426 4.718 50 0 CJAARO CC(C)Cc1ccc([C@@H](C)C(=[NH2+])NC2CCCCC2)cc1 ZINC000005481792 170103568 /nfs/dbraw/zinc/10/35/68/170103568.db2.gz KQDKZOYPNSBQSV-OAHLLOKOSA-N 1 0 286.463 4.888 50 0 CJAARO CC(C)Cc1ccc([C@H](C)C(=[NH2+])NC2CCCCC2)cc1 ZINC000005481795 170103642 /nfs/dbraw/zinc/10/36/42/170103642.db2.gz KQDKZOYPNSBQSV-HNNXBMFYSA-N 1 0 286.463 4.888 50 0 CJAARO C[NH+](C)CCC[C@H]1Oc2ccccc2Sc2ccccc21 ZINC000005524888 170107960 /nfs/dbraw/zinc/10/79/60/170107960.db2.gz XQIJSWRBJUQUCS-OAHLLOKOSA-N 1 0 299.439 4.613 50 0 CJAARO C[NH+](C)CCC[C@@H]1Oc2ccccc2Sc2ccccc21 ZINC000005524890 170107979 /nfs/dbraw/zinc/10/79/79/170107979.db2.gz XQIJSWRBJUQUCS-HNNXBMFYSA-N 1 0 299.439 4.613 50 0 CJAARO CC[NH+](CC)c1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000005615551 170120191 /nfs/dbraw/zinc/12/01/91/170120191.db2.gz ORUOFTQRHQYLIH-UHFFFAOYSA-N 1 0 288.822 4.798 50 0 CJAARO Cc1ccc([C@]2(C3CCCCC3)CCCC[NH2+]2)cc1 ZINC000005683740 170128360 /nfs/dbraw/zinc/12/83/60/170128360.db2.gz YKPIUWJKEPGCEO-GOSISDBHSA-N 1 0 257.421 4.544 50 0 CJAARO Cc1ccc([C@@]2(C3CCCCC3)CCCC[NH2+]2)cc1 ZINC000005683805 170128599 /nfs/dbraw/zinc/12/85/99/170128599.db2.gz YKPIUWJKEPGCEO-SFHVURJKSA-N 1 0 257.421 4.544 50 0 CJAARO Cc1ccccc1[C@@]1(C2CCCCC2)CCCC[NH2+]1 ZINC000005712057 170132255 /nfs/dbraw/zinc/13/22/55/170132255.db2.gz ASLFLDDPTREMCT-SFHVURJKSA-N 1 0 257.421 4.544 50 0 CJAARO C[NH2+]CCC[C@]1(c2ccccc2)CC(C)(C)c2ccccc21 ZINC000005762551 570301042 /nfs/dbraw/zinc/30/10/42/570301042.db2.gz WIHSDUPAYPXRSA-OAQYLSRUSA-N 1 0 293.454 4.654 50 0 CJAARO c1ccc(-c2[nH]c3ccccc3c2C[NH+]2CCCCC2)cc1 ZINC000005775544 170139651 /nfs/dbraw/zinc/13/96/51/170139651.db2.gz RJDPRWZQUBPYSV-UHFFFAOYSA-N 1 0 290.410 4.821 50 0 CJAARO Cc1cc(Nc2ccc(C)c(C)c2)c2ccccc2[nH+]1 ZINC000005798914 170141493 /nfs/dbraw/zinc/14/14/93/170141493.db2.gz JGGFZOVNLBJFTE-UHFFFAOYSA-N 1 0 262.356 4.904 50 0 CJAARO C[C@]12CC3CC([NH2+]Cc4cccs4)(C1)C[C@@](C)(C3)C2 ZINC000005955178 170162041 /nfs/dbraw/zinc/16/20/41/170162041.db2.gz DNRIAYRQKLTQMZ-JOHJCKIYSA-N 1 0 275.461 4.587 50 0 CJAARO Cc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)s1 ZINC000005969515 170164607 /nfs/dbraw/zinc/16/46/07/170164607.db2.gz XIQOADYNRNFRAC-JGAFYBCUSA-N 1 0 289.488 4.895 50 0 CJAARO Cc1ccsc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000005982096 170165246 /nfs/dbraw/zinc/16/52/46/170165246.db2.gz RPYBAZGGOQDTSO-JGAFYBCUSA-N 1 0 289.488 4.895 50 0 CJAARO Clc1ccccc1C[NH2+]Cc1cccc2ccccc21 ZINC000006000249 170166711 /nfs/dbraw/zinc/16/67/11/170166711.db2.gz DTTYRUBRTZWHHT-UHFFFAOYSA-N 1 0 281.786 4.783 50 0 CJAARO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCCCC1 ZINC000006036811 170170420 /nfs/dbraw/zinc/17/04/20/170170420.db2.gz MGNFYQILYYYUBS-MRXNPFEDSA-N 1 0 273.464 4.649 50 0 in-vitro CJAARO CC(=O)c1cccc(Nc2cc(C)[nH+]c3c(C)cccc23)c1 ZINC000006044868 170171799 /nfs/dbraw/zinc/17/17/99/170171799.db2.gz BKXVJMHZIOOGCZ-UHFFFAOYSA-N 1 0 290.366 4.798 50 0 CJAARO [NH3+][C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000006117444 170176981 /nfs/dbraw/zinc/17/69/81/170176981.db2.gz SRPXSILJHWNFMK-ZBEGNZNMSA-N 1 0 292.209 4.919 50 0 world CJAARO Cc1ccccc1OCCCCCC[N@H+]1CCCC[C@@H]1C ZINC000006218581 525283798 /nfs/dbraw/zinc/28/37/98/525283798.db2.gz JFSFPVUJKFXOMT-SFHVURJKSA-N 1 0 289.463 4.809 50 0 CJAARO Cc1ccccc1OCCCCCC[N@H+]1CCCC[C@H]1C ZINC000006218584 525284548 /nfs/dbraw/zinc/28/45/48/525284548.db2.gz JFSFPVUJKFXOMT-GOSISDBHSA-N 1 0 289.463 4.809 50 0 CJAARO CCOc1ccccc1Nc1cc(C)[nH+]c2c(C)cccc12 ZINC000006223639 326817719 /nfs/dbraw/zinc/81/77/19/326817719.db2.gz OOYYENZCMOJPPF-UHFFFAOYSA-N 1 0 292.382 4.994 50 0 CJAARO COc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000006256876 260022375 /nfs/dbraw/zinc/02/23/75/260022375.db2.gz WFHRDMKXEBIHLO-UHFFFAOYSA-N 1 0 278.355 4.604 50 0 CJAARO COc1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1 ZINC000006268100 170187051 /nfs/dbraw/zinc/18/70/51/170187051.db2.gz GVWFYHBFJOBGBT-UHFFFAOYSA-N 1 0 292.382 4.912 50 0 CJAARO CCCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006320603 170191009 /nfs/dbraw/zinc/19/10/09/170191009.db2.gz FKDSVUXFTDKQBB-UHFFFAOYSA-N 1 0 283.415 4.545 50 0 CJAARO CC(C)c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006377441 170196165 /nfs/dbraw/zinc/19/61/65/170196165.db2.gz SHSUDTJOFNHXBN-UHFFFAOYSA-N 1 0 283.459 4.868 50 0 CJAARO CCOc1ccc(Nc2cc(C)[nH+]c3c(C)cccc23)cc1 ZINC000006387529 170197268 /nfs/dbraw/zinc/19/72/68/170197268.db2.gz SZOHPYCPIHKAML-UHFFFAOYSA-N 1 0 292.382 4.994 50 0 CJAARO CCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000006427131 170200601 /nfs/dbraw/zinc/20/06/01/170200601.db2.gz CEFYMVQCUXAFJV-UHFFFAOYSA-N 1 0 290.234 4.672 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006427145 170200286 /nfs/dbraw/zinc/20/02/86/170200286.db2.gz CRDOVLDTXVOKIS-UHFFFAOYSA-N 1 0 297.442 4.936 50 0 CJAARO CCCCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006427152 170200671 /nfs/dbraw/zinc/20/06/71/170200671.db2.gz HZHPSZNLVLDLHI-UHFFFAOYSA-N 1 0 297.442 4.936 50 0 CJAARO CCCCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000006427163 170200467 /nfs/dbraw/zinc/20/04/67/170200467.db2.gz LYHBFBSBCJMPID-UHFFFAOYSA-N 1 0 297.442 4.936 50 0 CJAARO CCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006427736 170200620 /nfs/dbraw/zinc/20/06/20/170200620.db2.gz RUETZGINRNIHMO-UHFFFAOYSA-N 1 0 283.415 4.545 50 0 CJAARO CCCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000006427765 170200356 /nfs/dbraw/zinc/20/03/56/170200356.db2.gz SGZVGIOOADTIOF-UHFFFAOYSA-N 1 0 283.415 4.545 50 0 CJAARO CC[N@H+](CC(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000006432439 170201125 /nfs/dbraw/zinc/20/11/25/170201125.db2.gz POUFCPOLMCLUQC-UHFFFAOYSA-N 1 0 295.426 4.677 50 0 CJAARO C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]Cc1ccccc1 ZINC000006442874 230369718 /nfs/dbraw/zinc/36/97/18/230369718.db2.gz DTMWDBKFHSFBDO-AYAHVVACSA-N 1 0 283.459 4.771 50 0 CJAARO COc1ccc(CC[NH2+]CC[C@@H](C)CCC=C(C)C)cc1 ZINC000006558891 170213340 /nfs/dbraw/zinc/21/33/40/170213340.db2.gz HCVNERPKXUQQKR-KRWDZBQOSA-N 1 0 289.463 4.600 50 0 CJAARO COc1ccc(CC[NH2+]CC[C@H](C)CCC=C(C)C)cc1 ZINC000006558894 170213410 /nfs/dbraw/zinc/21/34/10/170213410.db2.gz HCVNERPKXUQQKR-QGZVFWFLSA-N 1 0 289.463 4.600 50 0 CJAARO CC(C)=CCC[C@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC000006560680 170213707 /nfs/dbraw/zinc/21/37/07/170213707.db2.gz UDSKKTFNMHUYKK-INIZCTEOSA-N 1 0 259.437 4.857 50 0 CJAARO CC(C)=CCC[C@@H](C)CC[NH2+]Cc1ccc(C)cc1 ZINC000006560682 170213761 /nfs/dbraw/zinc/21/37/61/170213761.db2.gz UDSKKTFNMHUYKK-MRXNPFEDSA-N 1 0 259.437 4.857 50 0 CJAARO C[C@@H]1CCCC[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000006566276 170214164 /nfs/dbraw/zinc/21/41/64/170214164.db2.gz MKQHVISXGKCEAB-KUHUBIRLSA-N 1 0 277.411 4.925 50 0 CJAARO C[C@H]1CCCC[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000006566277 170214187 /nfs/dbraw/zinc/21/41/87/170214187.db2.gz MKQHVISXGKCEAB-LIRRHRJNSA-N 1 0 277.411 4.925 50 0 CJAARO C[C@@H]1CCCC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000006566278 170214111 /nfs/dbraw/zinc/21/41/11/170214111.db2.gz MKQHVISXGKCEAB-AUUYWEPGSA-N 1 0 277.411 4.925 50 0 CJAARO C[C@H]1CCCC[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000006566279 170214200 /nfs/dbraw/zinc/21/42/00/170214200.db2.gz MKQHVISXGKCEAB-IFXJQAMLSA-N 1 0 277.411 4.925 50 0 CJAARO Cc1cc(Nc2ccc(Cl)cc2)c2ccccc2[nH+]1 ZINC000006571337 170214166 /nfs/dbraw/zinc/21/41/66/170214166.db2.gz BVBVEJRKKXUUQO-UHFFFAOYSA-N 1 0 268.747 4.940 50 0 CJAARO C[C@]12CC3CC([NH2+]Cc4ccccc4)(C1)C[C@@](C)(C3)C2 ZINC000006588188 170216993 /nfs/dbraw/zinc/21/69/93/170216993.db2.gz BBTIIMFGVUDAHP-FXSDRFNOSA-N 1 0 269.432 4.525 50 0 CJAARO COc1ccccc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000006588189 170217107 /nfs/dbraw/zinc/21/71/07/170217107.db2.gz GCQMRUPYEMRUMZ-LGMBCPCJSA-N 1 0 299.458 4.534 50 0 CJAARO CCCCCC[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000006590299 170216708 /nfs/dbraw/zinc/21/67/08/170216708.db2.gz KLRISXPGYDVPGO-UHFFFAOYSA-N 1 0 277.452 4.533 50 0 CJAARO COc1ccccc1Nc1cc(C)[nH+]c2c(C)cccc12 ZINC000006614588 170219350 /nfs/dbraw/zinc/21/93/50/170219350.db2.gz LUFVCZZMEZFDDF-UHFFFAOYSA-N 1 0 278.355 4.604 50 0 CJAARO CCC(C)(C)C1CCC([NH2+]CCc2ccccc2)CC1 ZINC000006650889 170222260 /nfs/dbraw/zinc/22/22/60/170222260.db2.gz ILMKMXIUJOUYJA-UHFFFAOYSA-N 1 0 273.464 4.814 50 0 CJAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000006697129 170226780 /nfs/dbraw/zinc/22/67/80/170226780.db2.gz DCURWSHWHSDCQS-HNNXBMFYSA-N 1 0 277.367 4.797 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000006697130 170226949 /nfs/dbraw/zinc/22/69/49/170226949.db2.gz DCURWSHWHSDCQS-OAHLLOKOSA-N 1 0 277.367 4.797 50 0 CJAARO Clc1ccc(-c2ccc(C[NH2+]C3CC3)o2)c(Cl)c1 ZINC000006697779 170227385 /nfs/dbraw/zinc/22/73/85/170227385.db2.gz ANZJWTLGYDUUJU-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO Clc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000006743535 170238347 /nfs/dbraw/zinc/23/83/47/170238347.db2.gz JBUBIYFUTXLBCT-UHFFFAOYSA-N 1 0 297.785 4.890 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000006779847 170243068 /nfs/dbraw/zinc/24/30/68/170243068.db2.gz ZRVQPVFBISSFTF-OAHLLOKOSA-N 1 0 267.416 4.835 50 0 CJAARO COc1ccccc1Nc1cc(C)[nH+]c2ccc(C)cc12 ZINC000006814617 170246033 /nfs/dbraw/zinc/24/60/33/170246033.db2.gz GPMCJXTXRKLTPY-UHFFFAOYSA-N 1 0 278.355 4.604 50 0 CJAARO Cc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000006841135 170248264 /nfs/dbraw/zinc/24/82/64/170248264.db2.gz LZGHREGAZVJULL-REPIYIIUSA-N 1 0 283.459 4.834 50 0 CJAARO CC(C)(C)CC(C)(C)[NH2+]Cc1c(F)cccc1Cl ZINC000006857331 170250148 /nfs/dbraw/zinc/25/01/48/170250148.db2.gz NQKCDCNJZZCBJT-UHFFFAOYSA-N 1 0 271.807 4.784 50 0 CJAARO COc1ccc(Cl)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006857355 170250066 /nfs/dbraw/zinc/25/00/66/170250066.db2.gz LCONYYRGABIBKC-UHFFFAOYSA-N 1 0 283.843 4.653 50 0 CJAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(Br)cc1 ZINC000006857382 170250276 /nfs/dbraw/zinc/25/02/76/170250276.db2.gz FUAXQHRLBCREOT-UHFFFAOYSA-N 1 0 298.268 4.754 50 0 CJAARO CSc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000006857394 170250100 /nfs/dbraw/zinc/25/01/00/170250100.db2.gz HPQKXKIASYQDON-UHFFFAOYSA-N 1 0 265.466 4.713 50 0 CJAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000006857414 170250399 /nfs/dbraw/zinc/25/03/99/170250399.db2.gz SXPMMMDWZFSRAQ-UHFFFAOYSA-N 1 0 298.268 4.754 50 0 CJAARO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(Cl)c1 ZINC000006857415 170250300 /nfs/dbraw/zinc/25/03/00/170250300.db2.gz KMSFBMTUCBZSQH-UHFFFAOYSA-N 1 0 253.817 4.644 50 0 CJAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1Cl ZINC000006857434 170250162 /nfs/dbraw/zinc/25/01/62/170250162.db2.gz ANZLPWJOQKEOLD-UHFFFAOYSA-N 1 0 253.817 4.644 50 0 CJAARO CCCC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000006868983 170251448 /nfs/dbraw/zinc/25/14/48/170251448.db2.gz YXLXKCXBEPBEES-UHFFFAOYSA-N 1 0 280.415 4.704 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000006870709 327730512 /nfs/dbraw/zinc/73/05/12/327730512.db2.gz SMOXCLIWBKGAFE-CQSZACIVSA-N 1 0 280.415 4.703 50 0 CJAARO CC[C@H](C)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000006870773 327730366 /nfs/dbraw/zinc/73/03/66/327730366.db2.gz SMOXCLIWBKGAFE-AWEZNQCLSA-N 1 0 280.415 4.703 50 0 CJAARO CCn1c2ccccc2c2cc(C[NH2+]C(C)(C)C)ccc21 ZINC000006871163 230369933 /nfs/dbraw/zinc/36/99/33/230369933.db2.gz SVMBVQYSVLBKRP-UHFFFAOYSA-N 1 0 280.415 4.703 50 0 CJAARO CCn1c2ccccc2c2cc(C[NH2+]CC(C)C)ccc21 ZINC000006871174 230369965 /nfs/dbraw/zinc/36/99/65/230369965.db2.gz APFMVFHRQQOSOL-UHFFFAOYSA-N 1 0 280.415 4.560 50 0 CJAARO CC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000006882562 170252132 /nfs/dbraw/zinc/25/21/32/170252132.db2.gz JRXXWGWPPUTXJQ-UHFFFAOYSA-N 1 0 281.758 4.627 50 0 CJAARO CC(C)C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000006883616 170252904 /nfs/dbraw/zinc/25/29/04/170252904.db2.gz IJAHLRLGXJYZKT-UHFFFAOYSA-N 1 0 298.213 4.999 50 0 CJAARO CC(C)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006883618 170252911 /nfs/dbraw/zinc/25/29/11/170252911.db2.gz MGBAFCNMEYUWAU-UHFFFAOYSA-N 1 0 298.213 4.999 50 0 CJAARO CC(C)C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000006883635 170252635 /nfs/dbraw/zinc/25/26/35/170252635.db2.gz ZBNRSFDBNFSHLV-UHFFFAOYSA-N 1 0 298.213 4.999 50 0 CJAARO c1ccc2c(c1)cccc2C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000006890631 327730518 /nfs/dbraw/zinc/73/05/18/327730518.db2.gz HLSKVTVMBXEFIH-UHFFFAOYSA-N 1 0 291.438 4.754 50 0 CJAARO c1ccc2c(c1)cccc2C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000006890634 567938690 /nfs/dbraw/zinc/93/86/90/567938690.db2.gz XZTDIDJMWRXNRS-UHFFFAOYSA-N 1 0 291.438 4.898 50 0 CJAARO CCc1c(C[N@@H+](CC)Cc2ccccc2)csc1C ZINC000006895148 170253903 /nfs/dbraw/zinc/25/39/03/170253903.db2.gz DNBJOFXPLDYXDY-UHFFFAOYSA-N 1 0 273.445 4.641 50 0 CJAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(Cl)cc3)c2c1 ZINC000006897356 170253919 /nfs/dbraw/zinc/25/39/19/170253919.db2.gz CMUILNOQHBJOCY-UHFFFAOYSA-N 1 0 298.773 4.949 50 0 CJAARO CCC(C)(C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000006934838 170256505 /nfs/dbraw/zinc/25/65/05/170256505.db2.gz FSELXSYHEZOAQI-UHFFFAOYSA-N 1 0 259.437 4.771 50 0 CJAARO CC(C)c1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000007009324 170262277 /nfs/dbraw/zinc/26/22/77/170262277.db2.gz XGBGAGOGKUEBCK-UHFFFAOYSA-N 1 0 283.459 4.724 50 0 CJAARO CC(C)c1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000007009351 170262396 /nfs/dbraw/zinc/26/23/96/170262396.db2.gz BFYFOJOEDBXSFC-UHFFFAOYSA-N 1 0 292.426 4.624 50 0 CJAARO CC(C)c1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000007009365 170262174 /nfs/dbraw/zinc/26/21/74/170262174.db2.gz AHACIUFQFIRXDF-UHFFFAOYSA-N 1 0 273.807 4.753 50 0 CJAARO CCCCCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000007260944 170273965 /nfs/dbraw/zinc/27/39/65/170273965.db2.gz RLMUNPLWMDTESK-UHFFFAOYSA-N 1 0 260.208 4.663 50 0 CJAARO CCCCCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000007260946 170273972 /nfs/dbraw/zinc/27/39/72/170273972.db2.gz RZXMRMSZJXROFB-UHFFFAOYSA-N 1 0 271.404 4.518 50 0 CJAARO CCCCCC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000007260947 170273691 /nfs/dbraw/zinc/27/36/91/170273691.db2.gz NJEAPPZJJINDHP-UHFFFAOYSA-N 1 0 285.431 4.908 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000007261002 170273789 /nfs/dbraw/zinc/27/37/89/170273789.db2.gz JDBQWDLRQCVDNH-UHFFFAOYSA-N 1 0 260.208 4.663 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000007261045 170274050 /nfs/dbraw/zinc/27/40/50/170274050.db2.gz RFQWVWCUCKNEEH-UHFFFAOYSA-N 1 0 260.208 4.663 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000007261056 170273892 /nfs/dbraw/zinc/27/38/92/170273892.db2.gz LZCBZVVFJQEEOR-UHFFFAOYSA-N 1 0 275.367 4.756 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000007261062 170273666 /nfs/dbraw/zinc/27/36/66/170273666.db2.gz YBOYFQAPNNTJOV-UHFFFAOYSA-N 1 0 257.377 4.617 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000007261063 170273714 /nfs/dbraw/zinc/27/37/14/170273714.db2.gz QUGFRRGPMNYBLH-UHFFFAOYSA-N 1 0 275.367 4.756 50 0 CJAARO CCCCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000007261073 170273729 /nfs/dbraw/zinc/27/37/29/170273729.db2.gz NCEBZSMMXRFCHL-UHFFFAOYSA-N 1 0 260.208 4.663 50 0 CJAARO CCCCC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000007261214 170273618 /nfs/dbraw/zinc/27/36/18/170273618.db2.gz UUXZGDADTMJPEB-UHFFFAOYSA-N 1 0 271.404 4.518 50 0 CJAARO CCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000007261257 170273839 /nfs/dbraw/zinc/27/38/39/170273839.db2.gz IKZHJSDYTKPKGG-UHFFFAOYSA-N 1 0 290.234 4.672 50 0 CJAARO CCCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000007261312 170274081 /nfs/dbraw/zinc/27/40/81/170274081.db2.gz RPOKFFGSFXVXAI-UHFFFAOYSA-N 1 0 253.389 4.633 50 0 CJAARO CCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007261323 170273766 /nfs/dbraw/zinc/27/37/66/170273766.db2.gz BLHRGIZGGHCZOK-UHFFFAOYSA-N 1 0 277.795 4.880 50 0 CJAARO CCCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000007261328 170274079 /nfs/dbraw/zinc/27/40/79/170274079.db2.gz KATJFIWTZALNQO-UHFFFAOYSA-N 1 0 277.795 4.880 50 0 CJAARO CCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007261708 170273812 /nfs/dbraw/zinc/27/38/12/170273812.db2.gz CCOYTWSGDXOZOH-UHFFFAOYSA-N 1 0 281.758 4.629 50 0 CJAARO CCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007261718 170273993 /nfs/dbraw/zinc/27/39/93/170273993.db2.gz BJRZXUOGVONHOQ-UHFFFAOYSA-N 1 0 277.795 4.798 50 0 CJAARO CCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007262384 170274515 /nfs/dbraw/zinc/27/45/15/170274515.db2.gz VCZDGELPMNHMAU-UHFFFAOYSA-N 1 0 284.186 4.753 50 0 CJAARO CCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007262385 170274323 /nfs/dbraw/zinc/27/43/23/170274323.db2.gz BRQQFHJJIXPXNH-UHFFFAOYSA-N 1 0 284.186 4.753 50 0 CJAARO CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007262393 170274518 /nfs/dbraw/zinc/27/45/18/170274518.db2.gz FRSOTUMXMCFWIT-UHFFFAOYSA-N 1 0 284.186 4.753 50 0 CJAARO c1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cc1 ZINC000007380923 170281387 /nfs/dbraw/zinc/28/13/87/170281387.db2.gz DIFRDNKLCYMRDR-UHFFFAOYSA-N 1 0 271.363 4.546 50 0 CJAARO Cc1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cc1 ZINC000007390454 170282263 /nfs/dbraw/zinc/28/22/63/170282263.db2.gz FKOCAHPUCHALBJ-UHFFFAOYSA-N 1 0 285.390 4.855 50 0 CJAARO Clc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000007521753 170288609 /nfs/dbraw/zinc/28/86/09/170288609.db2.gz VIDYIMAKXJTEFY-UHFFFAOYSA-N 1 0 251.801 4.543 50 0 CJAARO Brc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000007521787 170288485 /nfs/dbraw/zinc/28/84/85/170288485.db2.gz UQCMUDHFRPMCLO-UHFFFAOYSA-N 1 0 296.252 4.652 50 0 CJAARO Fc1cccc(Cl)c1C[NH2+]C1CCCCCCC1 ZINC000007522821 170288438 /nfs/dbraw/zinc/28/84/38/170288438.db2.gz KUPOLQGANXLTCZ-UHFFFAOYSA-N 1 0 269.791 4.682 50 0 CJAARO Brc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000007523304 170288706 /nfs/dbraw/zinc/28/87/06/170288706.db2.gz DZSNROKDVMNESN-UHFFFAOYSA-N 1 0 296.252 4.652 50 0 CJAARO CCOc1ccc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000007523434 170288696 /nfs/dbraw/zinc/28/86/96/170288696.db2.gz ANKHMLMTGXOXMG-UHFFFAOYSA-N 1 0 295.854 4.941 50 0 CJAARO FC(F)(F)c1ccccc1C[NH2+]C1CCCCCCC1 ZINC000007523494 170288774 /nfs/dbraw/zinc/28/87/74/170288774.db2.gz BBIIMKLRSCIZCX-UHFFFAOYSA-N 1 0 285.353 4.908 50 0 CJAARO Clc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000007523549 170288945 /nfs/dbraw/zinc/28/89/45/170288945.db2.gz NLAIJMQQQUDVJZ-UHFFFAOYSA-N 1 0 251.801 4.543 50 0 CJAARO Clc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000007523553 170288791 /nfs/dbraw/zinc/28/87/91/170288791.db2.gz VGWVLQVGUJUQEN-UHFFFAOYSA-N 1 0 251.801 4.543 50 0 CJAARO CSc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000007523572 170288659 /nfs/dbraw/zinc/28/86/59/170288659.db2.gz IYJKZVPTZCZPGL-UHFFFAOYSA-N 1 0 263.450 4.611 50 0 CJAARO COc1ccc(Cl)cc1C[NH2+]C1CCCCCCC1 ZINC000007524160 170288910 /nfs/dbraw/zinc/28/89/10/170288910.db2.gz NOPFKPQRRSFGRC-UHFFFAOYSA-N 1 0 281.827 4.551 50 0 CJAARO c1cc(-c2ccccc2)oc1C[NH2+]C1CCCCCC1 ZINC000007524265 170288660 /nfs/dbraw/zinc/28/86/60/170288660.db2.gz UDKNIULMGAIRJU-UHFFFAOYSA-N 1 0 269.388 4.759 50 0 CJAARO Fc1ccccc1-c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000007524283 170288931 /nfs/dbraw/zinc/28/89/31/170288931.db2.gz VVHDKSHYAABJGV-UHFFFAOYSA-N 1 0 273.351 4.508 50 0 CJAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000007524295 170288869 /nfs/dbraw/zinc/28/88/69/170288869.db2.gz LWUVEORNVSNWLM-AWEZNQCLSA-N 1 0 295.357 4.937 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000007524297 170288713 /nfs/dbraw/zinc/28/87/13/170288713.db2.gz LWUVEORNVSNWLM-CQSZACIVSA-N 1 0 295.357 4.937 50 0 CJAARO Fc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000007524334 170288741 /nfs/dbraw/zinc/28/87/41/170288741.db2.gz ZREPDJHMVOQFEI-UHFFFAOYSA-N 1 0 299.320 4.515 50 0 CJAARO Fc1ccccc1-c1ccc(C[NH2+]C2CCCCCC2)o1 ZINC000007524350 170288996 /nfs/dbraw/zinc/28/89/96/170288996.db2.gz KTWDUFPVHQVBSM-UHFFFAOYSA-N 1 0 287.378 4.898 50 0 CJAARO Fc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1 ZINC000007524363 170288822 /nfs/dbraw/zinc/28/88/22/170288822.db2.gz UQXCHJBVYDEMQJ-UHFFFAOYSA-N 1 0 273.351 4.508 50 0 CJAARO Fc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000007524408 170288801 /nfs/dbraw/zinc/28/88/01/170288801.db2.gz WSJXIPUDFVACBX-UHFFFAOYSA-N 1 0 299.320 4.515 50 0 CJAARO Fc1ccc(-c2ccc(C[NH2+]C3CCCCCC3)o2)cc1 ZINC000007524430 170288879 /nfs/dbraw/zinc/28/88/79/170288879.db2.gz GGYLNMHDMDWKLZ-UHFFFAOYSA-N 1 0 287.378 4.898 50 0 CJAARO Clc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1 ZINC000007524564 170288830 /nfs/dbraw/zinc/28/88/30/170288830.db2.gz AWTCDORRNSNDOC-UHFFFAOYSA-N 1 0 297.785 4.890 50 0 CJAARO Clc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1 ZINC000007524592 170288864 /nfs/dbraw/zinc/28/88/64/170288864.db2.gz VVVHEZNSANFLFC-UHFFFAOYSA-N 1 0 275.779 4.632 50 0 CJAARO Clc1cc(Cl)cc(-c2ccc(C[NH2+]C3CC3)o2)c1 ZINC000007524788 170288794 /nfs/dbraw/zinc/28/87/94/170288794.db2.gz WYKRAHDSPBAMEF-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO Clc1cccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)c1 ZINC000007524800 170288882 /nfs/dbraw/zinc/28/88/82/170288882.db2.gz GKWYMSGQCUVNFW-UHFFFAOYSA-N 1 0 297.785 4.890 50 0 CJAARO Clc1cccc(-c2ccc(C[NH2+]C3CCCC3)o2)c1 ZINC000007524816 170288716 /nfs/dbraw/zinc/28/87/16/170288716.db2.gz GMIQRHSYDGDYIU-UHFFFAOYSA-N 1 0 275.779 4.632 50 0 CJAARO C[C@]12CC3CC([NH2+]Cc4ccsc4)(C1)C[C@@](C)(C3)C2 ZINC000007524965 170288936 /nfs/dbraw/zinc/28/89/36/170288936.db2.gz XMYUVIDWMJTXOF-HPZPOOBXSA-N 1 0 275.461 4.587 50 0 CJAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000007538085 170290377 /nfs/dbraw/zinc/29/03/77/170290377.db2.gz SJRXQZDYWLJOFX-UHFFFAOYSA-N 1 0 287.406 4.952 50 0 CJAARO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)cc1 ZINC000007538171 170289976 /nfs/dbraw/zinc/28/99/76/170289976.db2.gz KPERPISTUUOBPA-UHFFFAOYSA-N 1 0 280.198 4.592 50 0 CJAARO Cc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000007538175 170290258 /nfs/dbraw/zinc/29/02/58/170290258.db2.gz BSGMMOPNCIMYBW-UHFFFAOYSA-N 1 0 280.198 4.592 50 0 CJAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000007538217 170290009 /nfs/dbraw/zinc/29/00/09/170290009.db2.gz FQPNEMFUMFPERP-UHFFFAOYSA-N 1 0 277.367 4.545 50 0 CJAARO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000007538221 170289947 /nfs/dbraw/zinc/28/99/47/170289947.db2.gz YPBWJBFTDOKOBK-UHFFFAOYSA-N 1 0 295.357 4.684 50 0 CJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000007538717 170290240 /nfs/dbraw/zinc/29/02/40/170290240.db2.gz XKFAYNVZBMYWLF-UHFFFAOYSA-N 1 0 277.795 4.797 50 0 CJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C2CCCC2)o1 ZINC000007538850 170290105 /nfs/dbraw/zinc/29/01/05/170290105.db2.gz OAXAUYGQTMMOAN-UHFFFAOYSA-N 1 0 289.806 4.941 50 0 CJAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CC(C)C)o1 ZINC000007539005 170290219 /nfs/dbraw/zinc/29/02/19/170290219.db2.gz LMIZEMNMIGRGSJ-UHFFFAOYSA-N 1 0 277.795 4.654 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007539022 170290366 /nfs/dbraw/zinc/29/03/66/170290366.db2.gz OYTDLYDXZMLLJY-LLVKDONJSA-N 1 0 277.795 4.797 50 0 CJAARO CC[C@H](C)[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007539026 170290164 /nfs/dbraw/zinc/29/01/64/170290164.db2.gz OYTDLYDXZMLLJY-NSHDSACASA-N 1 0 277.795 4.797 50 0 CJAARO Fc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1Cl ZINC000007539737 170290115 /nfs/dbraw/zinc/29/01/15/170290115.db2.gz SMDGSKWERXYNJA-UHFFFAOYSA-N 1 0 293.769 4.771 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007539776 170290297 /nfs/dbraw/zinc/29/02/97/170290297.db2.gz KUBGWVVHHLHLGW-SNVBAGLBSA-N 1 0 281.758 4.627 50 0 CJAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007539780 170290383 /nfs/dbraw/zinc/29/03/83/170290383.db2.gz KUBGWVVHHLHLGW-JTQLQIEISA-N 1 0 281.758 4.627 50 0 CJAARO Cc1cc(NC2CCCCC2)c2cc(Cl)ccc2[nH+]1 ZINC000007997074 170313065 /nfs/dbraw/zinc/31/30/65/170313065.db2.gz JLZILDMNRXILSZ-UHFFFAOYSA-N 1 0 274.795 4.941 50 0 CJAARO C[N@H+](C/C=C\c1ccccc1)Cc1cccc2ccccc21 ZINC000007997897 170313115 /nfs/dbraw/zinc/31/31/15/170313115.db2.gz OZGNYLLQHRPOBR-FLIBITNWSA-N 1 0 287.406 4.985 50 0 fda CJAARO CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008227112 170325634 /nfs/dbraw/zinc/32/56/34/170325634.db2.gz ZVTBOKSRUDTOMH-UHFFFAOYSA-N 1 0 291.394 4.528 50 0 CJAARO Clc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1Cl ZINC000008229719 170325925 /nfs/dbraw/zinc/32/59/25/170325925.db2.gz XNQBLHYSMWRECE-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO CCOc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000008324501 170331161 /nfs/dbraw/zinc/33/11/61/170331161.db2.gz BFCNNKZCZRIUHI-UHFFFAOYSA-N 1 0 281.827 4.551 50 0 CJAARO CCOc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000008324593 170330946 /nfs/dbraw/zinc/33/09/46/170330946.db2.gz MHKMNYMLIHBFKZ-ZDUSSCGKSA-N 1 0 289.806 4.590 50 0 CJAARO CCOc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000008324597 170330962 /nfs/dbraw/zinc/33/09/62/170330962.db2.gz MHKMNYMLIHBFKZ-CYBMUJFWSA-N 1 0 289.806 4.590 50 0 CJAARO CCOc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000008325070 170331312 /nfs/dbraw/zinc/33/13/12/170331312.db2.gz CBFHLCZXGWWWKT-UHFFFAOYSA-N 1 0 283.415 4.661 50 0 CJAARO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccccc1 ZINC000008325140 170331379 /nfs/dbraw/zinc/33/13/79/170331379.db2.gz FTKKHSWMVWLGIK-UHFFFAOYSA-N 1 0 291.394 4.528 50 0 CJAARO C[C@H]([NH2+]Cc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000008403258 170335110 /nfs/dbraw/zinc/33/51/10/170335110.db2.gz VLDVXCCRGBQTHY-INIZCTEOSA-N 1 0 288.394 4.599 50 0 CJAARO C[C@@H]([NH2+]Cc1ccccn1)c1ccc(-c2ccccc2)cc1 ZINC000008403263 170335179 /nfs/dbraw/zinc/33/51/79/170335179.db2.gz VLDVXCCRGBQTHY-MRXNPFEDSA-N 1 0 288.394 4.599 50 0 CJAARO COc1ccc2ccccc2c1C[NH2+]C1CCCCCC1 ZINC000008494321 170338057 /nfs/dbraw/zinc/33/80/57/170338057.db2.gz PWLRZOCXBYUMNB-UHFFFAOYSA-N 1 0 283.415 4.661 50 0 CJAARO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008534244 170339058 /nfs/dbraw/zinc/33/90/58/170339058.db2.gz UPVOFVSWUXCMJR-NSHDSACASA-N 1 0 280.198 4.844 50 0 CJAARO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1 ZINC000008534275 170339050 /nfs/dbraw/zinc/33/90/50/170339050.db2.gz QUIMMNUIYHLJQM-NSHDSACASA-N 1 0 280.198 4.844 50 0 CJAARO COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000008534524 170339302 /nfs/dbraw/zinc/33/93/02/170339302.db2.gz UUVDSWGMXHWMLI-JUNHRQJPSA-N 1 0 299.458 4.534 50 0 CJAARO COc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1 ZINC000008534539 170339148 /nfs/dbraw/zinc/33/91/48/170339148.db2.gz XVTQDCWUNUTSAL-JUNHRQJPSA-N 1 0 299.458 4.534 50 0 CJAARO C[C@]12CC3CC([NH2+]Cc4ccccc4F)(C1)C[C@@](C)(C3)C2 ZINC000008534554 170338997 /nfs/dbraw/zinc/33/89/97/170338997.db2.gz PJCGQJGDGTTZNV-KOCGSPDRSA-N 1 0 287.422 4.664 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000008535316 170339046 /nfs/dbraw/zinc/33/90/46/170339046.db2.gz UPVOFVSWUXCMJR-LLVKDONJSA-N 1 0 280.198 4.844 50 0 CJAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccccc1 ZINC000008535345 170339054 /nfs/dbraw/zinc/33/90/54/170339054.db2.gz QUIMMNUIYHLJQM-LLVKDONJSA-N 1 0 280.198 4.844 50 0 CJAARO CCCCCC(=O)Nc1c(C)c(CC)nc2ccccc21 ZINC000008625269 170343310 /nfs/dbraw/zinc/34/33/10/170343310.db2.gz AREKHNXDIOUNRW-UHFFFAOYSA-N 1 0 284.403 4.624 50 0 CJAARO CCc1c(/C=C2\[NH+]=C(C)C(CC)=C2C)[nH]c(C)c1C ZINC000008654081 170344133 /nfs/dbraw/zinc/34/41/33/170344133.db2.gz FYGSOBLWUOOVTP-SXGWCWSVSA-N 1 0 256.393 4.736 50 0 CJAARO Cc1ccc(N2CCc3c2c2cc(C)ccc2[nH+]c3C)cc1 ZINC000008657036 170344204 /nfs/dbraw/zinc/34/42/04/170344204.db2.gz VSWNSNHIXUOGJC-UHFFFAOYSA-N 1 0 288.394 4.854 50 0 CJAARO c1csc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000008723264 170349724 /nfs/dbraw/zinc/34/97/24/170349724.db2.gz DWTFRZOIACCGQV-UHFFFAOYSA-N 1 0 279.408 4.705 50 0 CJAARO Cn1c2ccccc2c(C[NH+](C)C)c1-c1ccc(Cl)cc1 ZINC000009614610 170382825 /nfs/dbraw/zinc/38/28/25/170382825.db2.gz ISEYSJDNIMGWSD-UHFFFAOYSA-N 1 0 298.817 4.560 50 0 CJAARO CC(C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000010436244 567861308 /nfs/dbraw/zinc/86/13/08/567861308.db2.gz UBZILBONWIAPJX-UHFFFAOYSA-N 1 0 284.186 4.751 50 0 CJAARO CC(C)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000010436252 567861500 /nfs/dbraw/zinc/86/15/00/567861500.db2.gz OGYGKURLJRXQJD-UHFFFAOYSA-N 1 0 284.186 4.751 50 0 CJAARO CC(C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000010436270 567861978 /nfs/dbraw/zinc/86/19/78/567861978.db2.gz OSFRCPYFXHSAMA-UHFFFAOYSA-N 1 0 284.186 4.751 50 0 CJAARO C[C@]12CC3CC([NH2+]CCc4ccccc4)(C1)C[C@@](C)(C3)C2 ZINC000010436621 170406843 /nfs/dbraw/zinc/40/68/43/170406843.db2.gz VZKSOSMFFGVSQV-REPIYIIUSA-N 1 0 283.459 4.568 50 0 CJAARO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1Cl ZINC000010473892 567861923 /nfs/dbraw/zinc/86/19/23/567861923.db2.gz OEZTUNWHPNVQMW-ZDUSSCGKSA-N 1 0 289.806 4.590 50 0 CJAARO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1Cl ZINC000010473896 567861874 /nfs/dbraw/zinc/86/18/74/567861874.db2.gz OEZTUNWHPNVQMW-CYBMUJFWSA-N 1 0 289.806 4.590 50 0 CJAARO CCCCC[NH2+]Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000010474818 567861652 /nfs/dbraw/zinc/86/16/52/567861652.db2.gz NBAKQYPYXVEXJB-UHFFFAOYSA-N 1 0 290.234 4.672 50 0 CJAARO CCOc1ccc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000010475306 567861730 /nfs/dbraw/zinc/86/17/30/567861730.db2.gz GDCWBCICHJPANN-UHFFFAOYSA-N 1 0 281.827 4.551 50 0 CJAARO CCOc1ccc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000010475354 567861852 /nfs/dbraw/zinc/86/18/52/567861852.db2.gz JSCXMASDAJRCDB-UHFFFAOYSA-N 1 0 295.854 4.941 50 0 CJAARO Cc1cc(C(C)(C)C)cc(C)c1CSC(=[NH2+])NC1CC1 ZINC000011254858 567906185 /nfs/dbraw/zinc/90/61/85/567906185.db2.gz HHTMJWSGPFRXDX-UHFFFAOYSA-N 1 0 290.476 4.521 50 0 CJAARO Cc1cc(Nc2cccc(Cl)c2)c2cc(O)ccc2[nH+]1 ZINC000011848535 570220523 /nfs/dbraw/zinc/22/05/23/570220523.db2.gz NVQKKZTVIAVJIA-UHFFFAOYSA-N 1 0 284.746 4.646 50 0 CJAARO CCCO[PH+](N(C(C)C)C(C)C)N(C(C)C)C(C)C ZINC000012359455 567087123 /nfs/dbraw/zinc/08/71/23/567087123.db2.gz OTEPWYBGBKUVGE-UHFFFAOYSA-N 1 0 290.432 4.878 50 0 CJAARO CC(C)Oc1ccc([C@@H]([NH2+]Cc2ccco2)C(C)C)cc1 ZINC000012391831 570315686 /nfs/dbraw/zinc/31/56/86/570315686.db2.gz MRMNTVISMMEAHV-SFHVURJKSA-N 1 0 287.403 4.554 50 0 CJAARO CC(C)Oc1ccc([C@H]([NH2+]Cc2ccco2)C(C)C)cc1 ZINC000012391832 570315765 /nfs/dbraw/zinc/31/57/65/570315765.db2.gz MRMNTVISMMEAHV-GOSISDBHSA-N 1 0 287.403 4.554 50 0 CJAARO CC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012473437 567863440 /nfs/dbraw/zinc/86/34/40/567863440.db2.gz SQECJRKEOAANAF-MRXNPFEDSA-N 1 0 298.430 4.723 50 0 CJAARO CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012473443 567863731 /nfs/dbraw/zinc/86/37/31/567863731.db2.gz SQECJRKEOAANAF-INIZCTEOSA-N 1 0 298.430 4.723 50 0 CJAARO CCn1c2ccccc2cc/c1=[NH+]\c1ccc(Cl)cc1 ZINC000013286453 567865655 /nfs/dbraw/zinc/86/56/55/567865655.db2.gz LCCKBRGWMYZZAO-HTXNQAPBSA-N 1 0 282.774 4.547 50 0 CJAARO c1ccc2c(c1)cccc2C[NH2+]CCC1=CCCCC1 ZINC000013717873 567942172 /nfs/dbraw/zinc/94/21/72/567942172.db2.gz MBZGXDPBMIXNFC-UHFFFAOYSA-N 1 0 265.400 4.820 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000013718116 170581247 /nfs/dbraw/zinc/58/12/47/170581247.db2.gz BUBWYBJPIZFCHD-UHFFFAOYSA-N 1 0 253.389 4.632 50 0 CJAARO CC(C)c1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000013718286 567867608 /nfs/dbraw/zinc/86/76/08/567867608.db2.gz HHYRTUUPQFTMSQ-UHFFFAOYSA-N 1 0 257.421 4.790 50 0 CJAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000013719915 170581329 /nfs/dbraw/zinc/58/13/29/170581329.db2.gz JZDMTSUIGRKBAK-UHFFFAOYSA-N 1 0 297.442 4.650 50 0 CJAARO Clc1ccc(CC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000013720889 170581628 /nfs/dbraw/zinc/58/16/28/170581628.db2.gz CDHBECYMCBHBBN-UHFFFAOYSA-N 1 0 295.813 4.826 50 0 CJAARO CC(C)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013721298 567882980 /nfs/dbraw/zinc/88/29/80/567882980.db2.gz BNNLDWDIMPKTMS-UHFFFAOYSA-N 1 0 287.834 4.796 50 0 CJAARO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013722733 567867500 /nfs/dbraw/zinc/86/75/00/567867500.db2.gz UMWZWFYHFAARQF-UHFFFAOYSA-N 1 0 294.225 4.634 50 0 CJAARO Cc1ccccc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000013723125 567942281 /nfs/dbraw/zinc/94/22/81/567942281.db2.gz BFYBUBRXJNZRBQ-UHFFFAOYSA-N 1 0 294.225 4.634 50 0 CJAARO Clc1ccc(CC[NH2+]CC2CCCCC2)c(Cl)c1 ZINC000013723372 567867645 /nfs/dbraw/zinc/86/76/45/567867645.db2.gz XISFHEJZFNTKQG-UHFFFAOYSA-N 1 0 286.246 4.706 50 0 CJAARO Clc1ccc(C[NH2+]CCC2=CCCCC2)c(Cl)c1 ZINC000013723519 567867341 /nfs/dbraw/zinc/86/73/41/567867341.db2.gz ANWJKQCEHAKGSV-UHFFFAOYSA-N 1 0 284.230 4.974 50 0 CJAARO Clc1cccc(Cl)c1C[NH2+]CCC1=CCCCC1 ZINC000013723522 567867431 /nfs/dbraw/zinc/86/74/31/567867431.db2.gz ATXHOZMMOUCFGV-UHFFFAOYSA-N 1 0 284.230 4.974 50 0 CJAARO CCOc1ccc(Cl)cc1C[NH2+]CCC1=CCCCC1 ZINC000013723719 567867380 /nfs/dbraw/zinc/86/73/80/567867380.db2.gz CGLGKTRCUSLLKV-UHFFFAOYSA-N 1 0 293.838 4.719 50 0 CJAARO COc1ccc2ccccc2c1C[NH2+]CCC1=CCCCC1 ZINC000013723764 567867451 /nfs/dbraw/zinc/86/74/51/567867451.db2.gz RGBXPWHGUKVBJA-UHFFFAOYSA-N 1 0 295.426 4.829 50 0 CJAARO FC(F)(F)c1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000013723786 567942063 /nfs/dbraw/zinc/94/20/63/567942063.db2.gz IDQCYULKRHOMMH-UHFFFAOYSA-N 1 0 283.337 4.686 50 0 CJAARO Clc1cccc(C[NH2+]CCC2=CCCCC2)c1Cl ZINC000013723830 567867601 /nfs/dbraw/zinc/86/76/01/567867601.db2.gz FVDSZCSUGALSBA-UHFFFAOYSA-N 1 0 284.230 4.974 50 0 CJAARO Clc1ccc(C[NH2+]CCC2=CCCCC2)cc1Cl ZINC000013723833 567867530 /nfs/dbraw/zinc/86/75/30/567867530.db2.gz HPPIISFUHGECKS-UHFFFAOYSA-N 1 0 284.230 4.974 50 0 CJAARO c1cc(-c2ccccc2)oc1C[NH2+]CCC1=CCCCC1 ZINC000013723844 567867325 /nfs/dbraw/zinc/86/73/25/567867325.db2.gz GOCQZXZYUCSWQG-UHFFFAOYSA-N 1 0 281.399 4.927 50 0 CJAARO CCOc1ccc(C[NH2+]CCC2=CCCCC2)cc1Cl ZINC000013724016 567867600 /nfs/dbraw/zinc/86/76/00/567867600.db2.gz CDYHKULFTNJCJY-UHFFFAOYSA-N 1 0 293.838 4.719 50 0 CJAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC(C)C ZINC000013724369 567867438 /nfs/dbraw/zinc/86/74/38/567867438.db2.gz UOIIEWZDWLHSNM-UHFFFAOYSA-N 1 0 290.234 4.528 50 0 CJAARO CCn1c2ccccc2c2cc(C[NH2+]CCC(C)C)ccc21 ZINC000013724378 567867494 /nfs/dbraw/zinc/86/74/94/567867494.db2.gz YFYIQMKPPZWSFK-UHFFFAOYSA-N 1 0 294.442 4.950 50 0 CJAARO CC(C)CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013724384 567867589 /nfs/dbraw/zinc/86/75/89/567867589.db2.gz SZOZAOQGBXIBPK-UHFFFAOYSA-N 1 0 277.795 4.736 50 0 CJAARO CC(C)CC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013724389 567867486 /nfs/dbraw/zinc/86/74/86/567867486.db2.gz BETUJGAWMRLHEK-UHFFFAOYSA-N 1 0 277.795 4.736 50 0 CJAARO CC(C)CC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013724413 567867496 /nfs/dbraw/zinc/86/74/96/567867496.db2.gz BNUVUSNGBIVKRI-UHFFFAOYSA-N 1 0 295.785 4.875 50 0 CJAARO Cc1ccc(COc2ccccc2C[NH2+]CCC(C)C)cc1 ZINC000013724437 170582162 /nfs/dbraw/zinc/58/21/62/170582162.db2.gz WRXSQXGKGOEFSE-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO Cc1ccc(COc2ccc(C[NH2+]CCC(C)C)cc2)cc1 ZINC000013724440 170581834 /nfs/dbraw/zinc/58/18/34/170581834.db2.gz SRXOGJMSSLZNAY-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO Cc1ccc(COc2cccc(C[NH2+]CCC(C)C)c2)cc1 ZINC000013724458 170581983 /nfs/dbraw/zinc/58/19/83/170581983.db2.gz GGYCFPJWEWUWSD-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO CC(C)CC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013724484 170582199 /nfs/dbraw/zinc/58/21/99/170582199.db2.gz MTGRWZIVPBOXQZ-UHFFFAOYSA-N 1 0 277.795 4.736 50 0 CJAARO CCOc1c(Cl)cc(C[NH2+]CCC(C)C)cc1Cl ZINC000013724546 567867464 /nfs/dbraw/zinc/86/74/64/567867464.db2.gz QMKNCPUYPHLXSS-UHFFFAOYSA-N 1 0 290.234 4.528 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013724584 170582404 /nfs/dbraw/zinc/58/24/04/170582404.db2.gz SAQRHJVQQZYVOI-UHFFFAOYSA-N 1 0 283.415 4.544 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000013724596 567942203 /nfs/dbraw/zinc/94/22/03/567942203.db2.gz XFCJZPJIXLXYIN-UHFFFAOYSA-N 1 0 283.415 4.544 50 0 CJAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000013724692 567942046 /nfs/dbraw/zinc/94/20/46/567942046.db2.gz FUUJVAFJWNAZRB-UHFFFAOYSA-N 1 0 283.415 4.544 50 0 CJAARO CCOc1ccc2ccccc2c1C[NH2+]C(C)(C)CC ZINC000013724896 567867453 /nfs/dbraw/zinc/86/74/53/567867453.db2.gz IHTWDFXTFDLUNM-UHFFFAOYSA-N 1 0 271.404 4.517 50 0 CJAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)CC ZINC000013724939 567867728 /nfs/dbraw/zinc/86/77/28/567867728.db2.gz ITWUGONQOCNNSI-UHFFFAOYSA-N 1 0 290.234 4.670 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013724958 567867478 /nfs/dbraw/zinc/86/74/78/567867478.db2.gz GYIFNVVFXFIOGA-UHFFFAOYSA-N 1 0 277.795 4.878 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013724966 567867653 /nfs/dbraw/zinc/86/76/53/567867653.db2.gz FJTZZGYBZXHTGF-UHFFFAOYSA-N 1 0 277.795 4.878 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000013725027 567867682 /nfs/dbraw/zinc/86/76/82/567867682.db2.gz GUYIMTJPSALJPU-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000013725031 567867395 /nfs/dbraw/zinc/86/73/95/567867395.db2.gz MJQNTYVFTKBVBQ-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000013725056 567867572 /nfs/dbraw/zinc/86/75/72/567867572.db2.gz WFYFRKOXZAJIPS-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000013725090 170582172 /nfs/dbraw/zinc/58/21/72/170582172.db2.gz IWQUAJJUUKECOG-UHFFFAOYSA-N 1 0 277.795 4.878 50 0 CJAARO CCOc1c(Cl)cc(C[NH2+]C(C)(C)CC)cc1Cl ZINC000013725171 567867618 /nfs/dbraw/zinc/86/76/18/567867618.db2.gz SPHDYELKWFIDHZ-UHFFFAOYSA-N 1 0 290.234 4.670 50 0 CJAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1c(F)cccc1Cl ZINC000013725452 567942204 /nfs/dbraw/zinc/94/22/04/567942204.db2.gz NLLXQSNVGMEFEN-ZDUSSCGKSA-N 1 0 291.797 4.590 50 0 CJAARO C[C@H](CCc1ccccc1)[NH2+]Cc1c(F)cccc1Cl ZINC000013725456 567942161 /nfs/dbraw/zinc/94/21/61/567942161.db2.gz NLLXQSNVGMEFEN-CYBMUJFWSA-N 1 0 291.797 4.590 50 0 CJAARO CSc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013726266 567942212 /nfs/dbraw/zinc/94/22/12/567942212.db2.gz WOHLQACQUZEEMU-HNNXBMFYSA-N 1 0 285.456 4.519 50 0 CJAARO CSc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013726270 567942050 /nfs/dbraw/zinc/94/20/50/567942050.db2.gz WOHLQACQUZEEMU-OAHLLOKOSA-N 1 0 285.456 4.519 50 0 CJAARO CC(C)c1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000013726290 170582188 /nfs/dbraw/zinc/58/21/88/170582188.db2.gz QPGIJIDHKJOCPG-KRWDZBQOSA-N 1 0 281.443 4.921 50 0 CJAARO CC(C)c1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000013726294 567942194 /nfs/dbraw/zinc/94/21/94/567942194.db2.gz QPGIJIDHKJOCPG-QGZVFWFLSA-N 1 0 281.443 4.921 50 0 CJAARO Cc1ccc(C)c(OCCCCC[NH+]2CCC(C)CC2)c1 ZINC000014182383 567915649 /nfs/dbraw/zinc/91/56/49/567915649.db2.gz XMXPKXUPNXTUGS-UHFFFAOYSA-N 1 0 289.463 4.584 50 0 CJAARO c1ccc(Oc2ccc([C@H]3CCCCC[NH2+]3)cc2)cc1 ZINC000014629014 567869145 /nfs/dbraw/zinc/86/91/45/567869145.db2.gz OYYRNGZCGDRJQR-GOSISDBHSA-N 1 0 267.372 4.684 50 0 CJAARO c1ccc(Oc2ccc([C@@H]3CCCCC[NH2+]3)cc2)cc1 ZINC000014629016 170639384 /nfs/dbraw/zinc/63/93/84/170639384.db2.gz OYYRNGZCGDRJQR-SFHVURJKSA-N 1 0 267.372 4.684 50 0 CJAARO Clc1ccc(OC2CC[NH2+]CC2)c(C2CCCCC2)c1 ZINC000014631974 567869395 /nfs/dbraw/zinc/86/93/95/567869395.db2.gz CWZIEDACJJQIBJ-UHFFFAOYSA-N 1 0 293.838 4.519 50 0 CJAARO C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2[NH3+] ZINC000015219051 567089130 /nfs/dbraw/zinc/08/91/30/567089130.db2.gz VLULBHZUYRXISM-DWQYQCALSA-N 1 0 275.480 4.747 50 0 CJAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)c1 ZINC000015836776 570343585 /nfs/dbraw/zinc/34/35/85/570343585.db2.gz ACRPRBYAPXRTDW-GOSISDBHSA-N 1 0 287.353 4.610 50 0 CJAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)c1 ZINC000015836779 570343849 /nfs/dbraw/zinc/34/38/49/570343849.db2.gz CCVAIYAOCLBKDI-FQEVSTJZSA-N 1 0 279.427 4.949 50 0 CJAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)c1 ZINC000015836782 570343976 /nfs/dbraw/zinc/34/39/76/570343976.db2.gz CCVAIYAOCLBKDI-HXUWFJFHSA-N 1 0 279.427 4.949 50 0 CJAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)c1 ZINC000015836791 570344091 /nfs/dbraw/zinc/34/40/91/570344091.db2.gz HEJSCLLGZDTCIB-FQEVSTJZSA-N 1 0 279.427 4.949 50 0 CJAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)c1 ZINC000015836794 570343872 /nfs/dbraw/zinc/34/38/72/570343872.db2.gz HEJSCLLGZDTCIB-HXUWFJFHSA-N 1 0 279.427 4.949 50 0 CJAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)c1 ZINC000015836802 570343763 /nfs/dbraw/zinc/34/37/63/570343763.db2.gz ITGQTHPVSXBQMO-SFHVURJKSA-N 1 0 287.353 4.610 50 0 CJAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2F)c1 ZINC000015836804 570343722 /nfs/dbraw/zinc/34/37/22/570343722.db2.gz ITGQTHPVSXBQMO-GOSISDBHSA-N 1 0 287.353 4.610 50 0 CJAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)c1 ZINC000015836834 570344082 /nfs/dbraw/zinc/34/40/82/570344082.db2.gz FZVZIUBNALYCEL-SFHVURJKSA-N 1 0 287.353 4.610 50 0 CJAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2)c1 ZINC000015836836 570344114 /nfs/dbraw/zinc/34/41/14/570344114.db2.gz FZVZIUBNALYCEL-GOSISDBHSA-N 1 0 287.353 4.610 50 0 CJAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000015836848 570343785 /nfs/dbraw/zinc/34/37/85/570343785.db2.gz PMWLHLBCQYRZCD-HXUWFJFHSA-N 1 0 295.426 4.731 50 0 CJAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000015836851 570343985 /nfs/dbraw/zinc/34/39/85/570343985.db2.gz PMWLHLBCQYRZCD-FQEVSTJZSA-N 1 0 295.426 4.731 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)cc1 ZINC000015836860 570343861 /nfs/dbraw/zinc/34/38/61/570343861.db2.gz BQSJCODPYQEWKB-LJQANCHMSA-N 1 0 265.400 4.641 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)cc1 ZINC000015836863 570343755 /nfs/dbraw/zinc/34/37/55/570343755.db2.gz BQSJCODPYQEWKB-IBGZPJMESA-N 1 0 265.400 4.641 50 0 CJAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015836866 570343794 /nfs/dbraw/zinc/34/37/94/570343794.db2.gz WBGHQGGNMNUUBC-SFHVURJKSA-N 1 0 285.818 4.986 50 0 CJAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015836868 570343837 /nfs/dbraw/zinc/34/38/37/570343837.db2.gz WBGHQGGNMNUUBC-GOSISDBHSA-N 1 0 285.818 4.986 50 0 CJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)cc1 ZINC000015836882 570344065 /nfs/dbraw/zinc/34/40/65/570344065.db2.gz ZZRQJBZWQHSIAC-FQEVSTJZSA-N 1 0 295.426 4.649 50 0 CJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c(C)c2)cc1 ZINC000015836884 570344119 /nfs/dbraw/zinc/34/41/19/570344119.db2.gz ZZRQJBZWQHSIAC-HXUWFJFHSA-N 1 0 295.426 4.649 50 0 CJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)cc1 ZINC000015836897 570344059 /nfs/dbraw/zinc/34/40/59/570344059.db2.gz SBHZPYIMKHFHHE-FQEVSTJZSA-N 1 0 295.426 4.649 50 0 CJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)cc1 ZINC000015836900 570343824 /nfs/dbraw/zinc/34/38/24/570343824.db2.gz SBHZPYIMKHFHHE-HXUWFJFHSA-N 1 0 295.426 4.649 50 0 CJAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)cc1 ZINC000015836904 570344141 /nfs/dbraw/zinc/34/41/41/570344141.db2.gz YGOXIQVVIBWJPQ-FQEVSTJZSA-N 1 0 295.426 4.649 50 0 CJAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)cc1 ZINC000015836907 570344127 /nfs/dbraw/zinc/34/41/27/570344127.db2.gz YGOXIQVVIBWJPQ-HXUWFJFHSA-N 1 0 295.426 4.649 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015837019 570343803 /nfs/dbraw/zinc/34/38/03/570343803.db2.gz IVSBBDJVEVVSBT-HXUWFJFHSA-N 1 0 295.426 4.595 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000015837022 570343947 /nfs/dbraw/zinc/34/39/47/570343947.db2.gz IVSBBDJVEVVSBT-FQEVSTJZSA-N 1 0 295.426 4.595 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1C ZINC000015837101 570344138 /nfs/dbraw/zinc/34/41/38/570344138.db2.gz JGCYZQRSGLBNQI-LJQANCHMSA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1C ZINC000015837105 570343773 /nfs/dbraw/zinc/34/37/73/570343773.db2.gz JGCYZQRSGLBNQI-IBGZPJMESA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000015837119 570344432 /nfs/dbraw/zinc/34/44/32/570344432.db2.gz ONQPMYRYOHQWPO-LJQANCHMSA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000015837123 570344385 /nfs/dbraw/zinc/34/43/85/570344385.db2.gz ONQPMYRYOHQWPO-IBGZPJMESA-N 1 0 283.390 4.780 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000015837277 566921672 /nfs/dbraw/zinc/92/16/72/566921672.db2.gz KFDSFTHNSPKKKD-LJQANCHMSA-N 1 0 283.390 4.725 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000015837280 566921092 /nfs/dbraw/zinc/92/10/92/566921092.db2.gz KFDSFTHNSPKKKD-IBGZPJMESA-N 1 0 283.390 4.725 50 0 CJAARO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015837307 566921126 /nfs/dbraw/zinc/92/11/26/566921126.db2.gz JNLMQYMRLNVTET-KRWDZBQOSA-N 1 0 289.781 4.816 50 0 CJAARO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000015837310 566921635 /nfs/dbraw/zinc/92/16/35/566921635.db2.gz JNLMQYMRLNVTET-QGZVFWFLSA-N 1 0 289.781 4.816 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1C ZINC000015837329 566921810 /nfs/dbraw/zinc/92/18/10/566921810.db2.gz OZFCWQONMWFVGY-LJQANCHMSA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1C ZINC000015837332 566921877 /nfs/dbraw/zinc/92/18/77/566921877.db2.gz OZFCWQONMWFVGY-IBGZPJMESA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000015837348 566921787 /nfs/dbraw/zinc/92/17/87/566921787.db2.gz FZGAAQHVLVSVNF-LJQANCHMSA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000015837351 170680033 /nfs/dbraw/zinc/68/00/33/170680033.db2.gz FZGAAQHVLVSVNF-IBGZPJMESA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000015837362 566921223 /nfs/dbraw/zinc/92/12/23/566921223.db2.gz VFOVJPHIPKEONG-LJQANCHMSA-N 1 0 283.390 4.780 50 0 CJAARO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000015837365 566921613 /nfs/dbraw/zinc/92/16/13/566921613.db2.gz VFOVJPHIPKEONG-IBGZPJMESA-N 1 0 283.390 4.780 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837457 566921510 /nfs/dbraw/zinc/92/15/10/566921510.db2.gz OJBYKRJXRGPVNO-LJQANCHMSA-N 1 0 283.390 4.725 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837460 566921657 /nfs/dbraw/zinc/92/16/57/566921657.db2.gz OJBYKRJXRGPVNO-IBGZPJMESA-N 1 0 283.390 4.725 50 0 CJAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000015837462 566921591 /nfs/dbraw/zinc/92/15/91/566921591.db2.gz LNELDCVZELDSMB-LJQANCHMSA-N 1 0 299.389 4.562 50 0 CJAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000015837465 566921335 /nfs/dbraw/zinc/92/13/35/566921335.db2.gz LNELDCVZELDSMB-IBGZPJMESA-N 1 0 299.389 4.562 50 0 CJAARO Cc1ccc(CN2CCC[C@H]2c2cc(C(C)C)on2)s1 ZINC000015866863 567871423 /nfs/dbraw/zinc/87/14/23/567871423.db2.gz LBSCLALAEAWHGY-HNNXBMFYSA-N 1 0 290.432 4.505 50 0 CJAARO Cc1ccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)s1 ZINC000015866864 567871343 /nfs/dbraw/zinc/87/13/43/567871343.db2.gz LBSCLALAEAWHGY-OAHLLOKOSA-N 1 0 290.432 4.505 50 0 CJAARO CC[C@@H](C)c1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016247811 567908473 /nfs/dbraw/zinc/90/84/73/567908473.db2.gz GIUAIQCDPLJTKQ-IAGOWNOFSA-N 1 0 289.463 4.701 50 0 CJAARO CC[C@H](C)c1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016247812 567908547 /nfs/dbraw/zinc/90/85/47/567908547.db2.gz GIUAIQCDPLJTKQ-SJORKVTESA-N 1 0 289.463 4.701 50 0 CJAARO Cc1ccccc1C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000016362677 567944240 /nfs/dbraw/zinc/94/42/40/567944240.db2.gz HNMBTNDDPNUDBR-JUNHRQJPSA-N 1 0 283.459 4.834 50 0 CJAARO Clc1cccc(Cl)c1C[NH2+]C1CCCCCC1 ZINC000016383693 567872537 /nfs/dbraw/zinc/87/25/37/567872537.db2.gz ANERVKYNMVOSCC-UHFFFAOYSA-N 1 0 272.219 4.806 50 0 CJAARO Clc1cccc(C[NH2+]C2CCCCCC2)c1Cl ZINC000016383881 170695690 /nfs/dbraw/zinc/69/56/90/170695690.db2.gz UXNJIFAERFJZIM-UHFFFAOYSA-N 1 0 272.219 4.806 50 0 CJAARO Clc1ccc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000016384738 567872568 /nfs/dbraw/zinc/87/25/68/567872568.db2.gz GYAUOGWEDNRKHG-UHFFFAOYSA-N 1 0 272.219 4.806 50 0 CJAARO Clc1ccc(C[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000016384953 567872698 /nfs/dbraw/zinc/87/26/98/567872698.db2.gz HWPHXMOSUCMUSU-UHFFFAOYSA-N 1 0 272.219 4.806 50 0 CJAARO c1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000016479366 567944530 /nfs/dbraw/zinc/94/45/30/567944530.db2.gz LNJVRUSXEQJWID-UHFFFAOYSA-N 1 0 287.406 4.686 50 0 CJAARO c1ccc(COc2ccc(C[NH2+]C3CCCCC3)cc2)cc1 ZINC000016480398 567872963 /nfs/dbraw/zinc/87/29/63/567872963.db2.gz YVRXBCBXFHCQQT-UHFFFAOYSA-N 1 0 295.426 4.688 50 0 CJAARO c1ccc(COc2cccc(C[NH2+]C3CCCCC3)c2)cc1 ZINC000016480696 567873124 /nfs/dbraw/zinc/87/31/24/567873124.db2.gz XSVTXQUVLSXNAG-UHFFFAOYSA-N 1 0 295.426 4.688 50 0 CJAARO c1ccc(COc2ccccc2C[NH2+]C2CCCCC2)cc1 ZINC000016480760 567872948 /nfs/dbraw/zinc/87/29/48/567872948.db2.gz MCGNTNKBCSWJOU-UHFFFAOYSA-N 1 0 295.426 4.688 50 0 CJAARO c1ccc(-c2ccc(C[NH2+]C3CCCCC3)cc2)cc1 ZINC000016493127 170699911 /nfs/dbraw/zinc/69/99/11/170699911.db2.gz TXQVQHMUDWWKDQ-UHFFFAOYSA-N 1 0 265.400 4.776 50 0 CJAARO Fc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000016493159 567944491 /nfs/dbraw/zinc/94/44/91/567944491.db2.gz YCHBPCPFQGMEFG-UHFFFAOYSA-N 1 0 291.369 4.783 50 0 CJAARO c1ccc2c(c1)cccc2C[NH2+]C1CCCCCC1 ZINC000016526297 567944237 /nfs/dbraw/zinc/94/42/37/567944237.db2.gz UEMVHARHMAAYOU-UHFFFAOYSA-N 1 0 253.389 4.652 50 0 CJAARO [NH3+][C@@H](CCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016771587 567873595 /nfs/dbraw/zinc/87/35/95/567873595.db2.gz AAMHAESODPYXOM-HNNXBMFYSA-N 1 0 280.198 4.626 50 0 CJAARO [NH3+][C@H](CCc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000016771589 170711907 /nfs/dbraw/zinc/71/19/07/170711907.db2.gz AAMHAESODPYXOM-OAHLLOKOSA-N 1 0 280.198 4.626 50 0 CJAARO C[C@]12CC3CC([NH2+]CC4CCCCC4)(C1)C[C@@](C)(C3)C2 ZINC000017819724 570289442 /nfs/dbraw/zinc/28/94/42/570289442.db2.gz HSWFQGMPDSQZIO-FXSDRFNOSA-N 1 0 275.480 4.905 50 0 CJAARO c1ccc(-c2cc(N3CCCC3)c3ccccc3[nH+]2)cc1 ZINC000018157863 567876882 /nfs/dbraw/zinc/87/68/82/567876882.db2.gz YTUIYBMAIYEAER-UHFFFAOYSA-N 1 0 274.367 4.502 50 0 CJAARO CCCCN(CCCC)C[NH+](CCCC)CCCC ZINC000019325121 567877485 /nfs/dbraw/zinc/87/74/85/567877485.db2.gz XHQHCZJKIMGMBY-UHFFFAOYSA-N 1 0 270.505 4.748 50 0 CJAARO Clc1cccc(CN2CCc3ccccc3C2)c1Cl ZINC000019536873 567878178 /nfs/dbraw/zinc/87/81/78/567878178.db2.gz DXLZYJXGZRHYFD-UHFFFAOYSA-N 1 0 292.209 4.552 50 0 CJAARO Clc1ccc(CN2CCc3ccccc3C2)cc1Cl ZINC000019537447 567878045 /nfs/dbraw/zinc/87/80/45/567878045.db2.gz GSOOGISHYHOMJL-UHFFFAOYSA-N 1 0 292.209 4.552 50 0 CJAARO Clc1ccc(CN2CCc3ccccc3C2)c(Cl)c1 ZINC000019537556 567878198 /nfs/dbraw/zinc/87/81/98/567878198.db2.gz JTZBCANVKZZGEK-UHFFFAOYSA-N 1 0 292.209 4.552 50 0 CJAARO CC(C)COc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000019737868 567878705 /nfs/dbraw/zinc/87/87/05/567878705.db2.gz DSOPMSXNCUKBAA-INIZCTEOSA-N 1 0 283.415 4.572 50 0 CJAARO CC(C)COc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000019737869 567878930 /nfs/dbraw/zinc/87/89/30/567878930.db2.gz DSOPMSXNCUKBAA-MRXNPFEDSA-N 1 0 283.415 4.572 50 0 CJAARO CCCCCCOc1ccc(C[NH2+]CCCC)cc1 ZINC000019737885 170850966 /nfs/dbraw/zinc/85/09/66/170850966.db2.gz JYVRWKGDBCVPRR-UHFFFAOYSA-N 1 0 263.425 4.535 50 0 CJAARO C[C@@H](C[NH2+]C1CCCCC1)Oc1ccc(C(C)(C)C)cc1 ZINC000019737925 567878847 /nfs/dbraw/zinc/87/88/47/567878847.db2.gz YBBKACXCEXAVTH-HNNXBMFYSA-N 1 0 289.463 4.674 50 0 CJAARO C[C@H](C[NH2+]C1CCCCC1)Oc1ccc(C(C)(C)C)cc1 ZINC000019737926 567878830 /nfs/dbraw/zinc/87/88/30/567878830.db2.gz YBBKACXCEXAVTH-OAHLLOKOSA-N 1 0 289.463 4.674 50 0 CJAARO CC[NH+](CC)c1ccc(NCCCc2ccccc2)cc1 ZINC000019738529 567878798 /nfs/dbraw/zinc/87/87/98/567878798.db2.gz GMASILVAUCAKQI-UHFFFAOYSA-N 1 0 282.431 4.578 50 0 CJAARO CCOc1ccccc1CNc1ccc([NH+](CC)CC)cc1 ZINC000019738588 567878845 /nfs/dbraw/zinc/87/88/45/567878845.db2.gz AQFCKLGOVKQFEA-UHFFFAOYSA-N 1 0 298.430 4.544 50 0 CJAARO C[C@@H]1[NH2+]C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000019770054 567879362 /nfs/dbraw/zinc/87/93/62/567879362.db2.gz XLHRCDUFNATZLY-FZMZJTMJSA-N 1 0 296.801 4.617 50 0 CJAARO C[C@H]1[NH2+]C[C@@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000019770055 170856200 /nfs/dbraw/zinc/85/62/00/170856200.db2.gz XLHRCDUFNATZLY-RISCZKNCSA-N 1 0 296.801 4.617 50 0 CJAARO C[C@@H]1[NH2+]C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000019770056 567879073 /nfs/dbraw/zinc/87/90/73/567879073.db2.gz XLHRCDUFNATZLY-SMDDNHRTSA-N 1 0 296.801 4.617 50 0 CJAARO C[C@H]1[NH2+]C[C@H](c2ccccc2Cl)c2c3ccccc3[nH]c21 ZINC000019770057 567879045 /nfs/dbraw/zinc/87/90/45/567879045.db2.gz XLHRCDUFNATZLY-BXUZGUMPSA-N 1 0 296.801 4.617 50 0 CJAARO c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000019878674 567944624 /nfs/dbraw/zinc/94/46/24/567944624.db2.gz LUPHIKYFQYDIDI-NRFANRHFSA-N 1 0 287.406 4.760 50 0 CJAARO c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000019878676 567945014 /nfs/dbraw/zinc/94/50/14/567945014.db2.gz LUPHIKYFQYDIDI-OAQYLSRUSA-N 1 0 287.406 4.760 50 0 CJAARO CC[C@@H]([NH2+]Cc1ccccc1)c1cccc(Cl)c1 ZINC000019899513 567944945 /nfs/dbraw/zinc/94/49/45/567944945.db2.gz OWMYHTIYCAMWHX-MRXNPFEDSA-N 1 0 259.780 4.581 50 0 CJAARO CC[C@H]([NH2+]Cc1ccccc1)c1cccc(Cl)c1 ZINC000019899514 567945033 /nfs/dbraw/zinc/94/50/33/567945033.db2.gz OWMYHTIYCAMWHX-INIZCTEOSA-N 1 0 259.780 4.581 50 0 CJAARO CC(C)C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019899556 567945064 /nfs/dbraw/zinc/94/50/64/567945064.db2.gz NZGCWDDZVYSCMS-GOSISDBHSA-N 1 0 253.389 4.564 50 0 CJAARO CC(C)C[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000019899557 567945102 /nfs/dbraw/zinc/94/51/02/567945102.db2.gz NZGCWDDZVYSCMS-SFHVURJKSA-N 1 0 253.389 4.564 50 0 CJAARO C[C@@H]([NH2+]Cc1ccccc1F)c1cccc2ccccc21 ZINC000019949861 567945096 /nfs/dbraw/zinc/94/50/96/567945096.db2.gz DKYSJYICIWWOLG-CQSZACIVSA-N 1 0 279.358 4.830 50 0 CJAARO C[C@H]([NH2+]Cc1ccccc1F)c1cccc2ccccc21 ZINC000019949865 567945020 /nfs/dbraw/zinc/94/50/20/567945020.db2.gz DKYSJYICIWWOLG-AWEZNQCLSA-N 1 0 279.358 4.830 50 0 CJAARO CC(C)(C)c1ccc(C[NH2+]CCCc2ccccc2)cc1 ZINC000019994723 567884383 /nfs/dbraw/zinc/88/43/83/567884383.db2.gz KHZOZQVUDJFCFI-UHFFFAOYSA-N 1 0 281.443 4.707 50 0 CJAARO COc1cccc2cc([C@@H](C)[NH2+]C3CCCCCC3)oc21 ZINC000020000580 170965869 /nfs/dbraw/zinc/96/58/69/170965869.db2.gz JMCFVVYIQNIKMV-CYBMUJFWSA-N 1 0 287.403 4.815 50 0 CJAARO COc1cccc2cc([C@H](C)[NH2+]C3CCCCCC3)oc21 ZINC000020000583 567880614 /nfs/dbraw/zinc/88/06/14/567880614.db2.gz JMCFVVYIQNIKMV-ZDUSSCGKSA-N 1 0 287.403 4.815 50 0 CJAARO Fc1cccc(Cl)c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020001381 570290522 /nfs/dbraw/zinc/29/05/22/570290522.db2.gz WPMBIVQOVXQNBN-UHFFFAOYSA-N 1 0 293.813 4.538 50 0 CJAARO CC(C)(C)CC(C)(C)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000020005202 170966991 /nfs/dbraw/zinc/96/69/91/170966991.db2.gz IVPAQNMMAMFRCL-UHFFFAOYSA-N 1 0 289.463 4.531 50 0 CJAARO FC(F)(F)c1ccccc1C[NH2+]C1CCCCCC1 ZINC000020005759 570290507 /nfs/dbraw/zinc/29/05/07/570290507.db2.gz LWVUSZZTCCYQIO-UHFFFAOYSA-N 1 0 271.326 4.518 50 0 CJAARO Cc1ccc(C[NH2+][C@H](C)c2ccccc2Cl)s1 ZINC000020124126 171005664 /nfs/dbraw/zinc/00/56/64/171005664.db2.gz VMUPNEYDBJIDTN-LLVKDONJSA-N 1 0 265.809 4.561 50 0 CJAARO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)s1 ZINC000020124127 171005279 /nfs/dbraw/zinc/00/52/79/171005279.db2.gz VMUPNEYDBJIDTN-NSHDSACASA-N 1 0 265.809 4.561 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccccn1 ZINC000020136853 171024566 /nfs/dbraw/zinc/02/45/66/171024566.db2.gz QUNIFKGONZEGCM-LSDHHAIUSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccccn1 ZINC000020136857 171024683 /nfs/dbraw/zinc/02/46/83/171024683.db2.gz QUNIFKGONZEGCM-GJZGRUSLSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1ccccn1 ZINC000020136860 171024380 /nfs/dbraw/zinc/02/43/80/171024380.db2.gz QUNIFKGONZEGCM-HUUCEWRRSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cccc2ccccc21 ZINC000020136863 171024374 /nfs/dbraw/zinc/02/43/74/171024374.db2.gz QUNIFKGONZEGCM-CABCVRRESA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccncc1 ZINC000020136866 171024434 /nfs/dbraw/zinc/02/44/34/171024434.db2.gz DVYWDRQJCDROLT-CABCVRRESA-N 1 0 276.383 4.647 50 0 CJAARO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1ccncc1 ZINC000020136869 171024713 /nfs/dbraw/zinc/02/47/13/171024713.db2.gz DVYWDRQJCDROLT-GJZGRUSLSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1ccncc1 ZINC000020136872 171024621 /nfs/dbraw/zinc/02/46/21/171024621.db2.gz DVYWDRQJCDROLT-HUUCEWRRSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccc2ccccc21 ZINC000020136875 171024639 /nfs/dbraw/zinc/02/46/39/171024639.db2.gz DVYWDRQJCDROLT-LSDHHAIUSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccnc1 ZINC000020136878 171024557 /nfs/dbraw/zinc/02/45/57/171024557.db2.gz YGNNREROHKAGEN-CABCVRRESA-N 1 0 276.383 4.647 50 0 CJAARO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)c1cccnc1 ZINC000020136882 171024806 /nfs/dbraw/zinc/02/48/06/171024806.db2.gz YGNNREROHKAGEN-GJZGRUSLSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)c1cccnc1 ZINC000020136886 171024497 /nfs/dbraw/zinc/02/44/97/171024497.db2.gz YGNNREROHKAGEN-HUUCEWRRSA-N 1 0 276.383 4.647 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccc2ccccc21 ZINC000020136888 171024453 /nfs/dbraw/zinc/02/44/53/171024453.db2.gz YGNNREROHKAGEN-LSDHHAIUSA-N 1 0 276.383 4.647 50 0 CJAARO CC(C)(C)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020158603 171039892 /nfs/dbraw/zinc/03/98/92/171039892.db2.gz ZENILWQKVVHDOE-UHFFFAOYSA-N 1 0 297.320 4.854 50 0 CJAARO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000020305556 171142229 /nfs/dbraw/zinc/14/22/29/171142229.db2.gz HQSQSWMNDFSVKL-CQSZACIVSA-N 1 0 279.358 4.830 50 0 CJAARO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000020305557 171142237 /nfs/dbraw/zinc/14/22/37/171142237.db2.gz HQSQSWMNDFSVKL-AWEZNQCLSA-N 1 0 279.358 4.830 50 0 CJAARO [NH2+]=C(Nc1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1 ZINC000020384770 171175395 /nfs/dbraw/zinc/17/53/95/171175395.db2.gz VFFZITYEDZLZRB-UHFFFAOYSA-N 1 0 298.695 4.796 50 0 CJAARO Fc1ccc([C@@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000020542548 171242413 /nfs/dbraw/zinc/24/24/13/171242413.db2.gz SHARTJMNVZNJBT-FQEVSTJZSA-N 1 0 291.369 4.705 50 0 CJAARO Fc1ccc([C@H]([NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000020542550 171242715 /nfs/dbraw/zinc/24/27/15/171242715.db2.gz SHARTJMNVZNJBT-HXUWFJFHSA-N 1 0 291.369 4.705 50 0 CJAARO Cc1ccc(COc2ccccc2C[NH2+]C2CCCC2)cc1 ZINC000020873595 171277478 /nfs/dbraw/zinc/27/74/78/171277478.db2.gz KUBAIYUPSXAPQN-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO CCCCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000020873616 171277442 /nfs/dbraw/zinc/27/74/42/171277442.db2.gz NSWURILCUQEYKC-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1ccc(COc2ccc(C[NH2+]C3CCCC3)cc2)cc1 ZINC000020873711 171277262 /nfs/dbraw/zinc/27/72/62/171277262.db2.gz JCUDHUKUYGYGFH-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO CCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000020873728 171277074 /nfs/dbraw/zinc/27/70/74/171277074.db2.gz WWBFKARALCSQKS-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1ccc(COc2cccc(C[NH2+]C3CCCC3)c2)cc1 ZINC000020874441 171277413 /nfs/dbraw/zinc/27/74/13/171277413.db2.gz DMYNPGCVYANMLD-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO CCCCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874464 171277158 /nfs/dbraw/zinc/27/71/58/171277158.db2.gz VAYJTMOIVZJXOX-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Clc1ccccc1-c1ccc(C[NH2+]C2CCCC2)o1 ZINC000020876010 171277423 /nfs/dbraw/zinc/27/74/23/171277423.db2.gz MAGXHSXOMUMGLA-UHFFFAOYSA-N 1 0 275.779 4.632 50 0 CJAARO CCCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876026 171277145 /nfs/dbraw/zinc/27/71/45/171277145.db2.gz WEDZVRPAWXDMPA-UHFFFAOYSA-N 1 0 277.795 4.880 50 0 CJAARO Cc1ccc(-c2ccc(C[NH2+]C(C)(C)C)o2)cc1Cl ZINC000020876548 171277885 /nfs/dbraw/zinc/27/78/85/171277885.db2.gz DTKUFWNUDBYYMZ-UHFFFAOYSA-N 1 0 277.795 4.797 50 0 CJAARO CCCC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876567 171277633 /nfs/dbraw/zinc/27/76/33/171277633.db2.gz WZGWLDBOHTVGPV-UHFFFAOYSA-N 1 0 277.795 4.798 50 0 CJAARO Cc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)cc1Cl ZINC000020876569 171277815 /nfs/dbraw/zinc/27/78/15/171277815.db2.gz SHNUIBVPAGQUFM-UHFFFAOYSA-N 1 0 289.806 4.941 50 0 CJAARO Cc1ccc(-c2ccc(C[NH2+]CC(C)C)o2)cc1Cl ZINC000020876599 171277745 /nfs/dbraw/zinc/27/77/45/171277745.db2.gz GZJCLRHQXSFINL-UHFFFAOYSA-N 1 0 277.795 4.654 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876601 171277688 /nfs/dbraw/zinc/27/76/88/171277688.db2.gz ARCGLSOSBIZUNY-GFCCVEGCSA-N 1 0 277.795 4.797 50 0 CJAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876603 171277539 /nfs/dbraw/zinc/27/75/39/171277539.db2.gz ARCGLSOSBIZUNY-LBPRGKRZSA-N 1 0 277.795 4.797 50 0 CJAARO CCCOc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020924297 171280124 /nfs/dbraw/zinc/28/01/24/171280124.db2.gz HRNXXHBFBZZAIT-UHFFFAOYSA-N 1 0 299.458 4.534 50 0 CJAARO CCCOc1ccccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000020924549 171279816 /nfs/dbraw/zinc/27/98/16/171279816.db2.gz CSEPEDKNGROJQV-UHFFFAOYSA-N 1 0 277.452 4.780 50 0 CJAARO CCCOc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000020924554 171280120 /nfs/dbraw/zinc/28/01/20/171280120.db2.gz CTRLTTAHCRCQRK-UHFFFAOYSA-N 1 0 275.436 4.678 50 0 CJAARO CCCOc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000020924672 171279666 /nfs/dbraw/zinc/27/96/66/171279666.db2.gz QOWFVZNPPBYCFZ-KRWDZBQOSA-N 1 0 297.442 4.586 50 0 CJAARO CCCOc1ccccc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000020924678 171280052 /nfs/dbraw/zinc/28/00/52/171280052.db2.gz QOWFVZNPPBYCFZ-QGZVFWFLSA-N 1 0 297.442 4.586 50 0 CJAARO CCCOc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000020924716 171279943 /nfs/dbraw/zinc/27/99/43/171279943.db2.gz HAYDQDYBSSIUJZ-UHFFFAOYSA-N 1 0 299.458 4.534 50 0 CJAARO CCCOc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000020924988 171280118 /nfs/dbraw/zinc/28/01/18/171280118.db2.gz JHHGIASYWOIWDX-UHFFFAOYSA-N 1 0 277.452 4.780 50 0 CJAARO CCCOc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000020924993 171279805 /nfs/dbraw/zinc/27/98/05/171279805.db2.gz YQIQPVYSXFXVMV-UHFFFAOYSA-N 1 0 275.436 4.678 50 0 CJAARO CCCOc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000020925127 171279848 /nfs/dbraw/zinc/27/98/48/171279848.db2.gz NWIMNEJPGQLWMH-KRWDZBQOSA-N 1 0 297.442 4.586 50 0 CJAARO CCCOc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000020925132 171280115 /nfs/dbraw/zinc/28/01/15/171280115.db2.gz NWIMNEJPGQLWMH-QGZVFWFLSA-N 1 0 297.442 4.586 50 0 CJAARO CCCOc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020925152 171279740 /nfs/dbraw/zinc/27/97/40/171279740.db2.gz NRVOWZGAFYQNBG-UHFFFAOYSA-N 1 0 299.458 4.534 50 0 CJAARO CCCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000020925268 171279808 /nfs/dbraw/zinc/27/98/08/171279808.db2.gz VSKOYJMCQJQXCO-UHFFFAOYSA-N 1 0 277.452 4.780 50 0 CJAARO CCCOc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000020925274 171280473 /nfs/dbraw/zinc/28/04/73/171280473.db2.gz PASSYVLVOCKVAC-UHFFFAOYSA-N 1 0 275.436 4.678 50 0 CJAARO CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000020925339 171280495 /nfs/dbraw/zinc/28/04/95/171280495.db2.gz NCYNGQATJZLESD-KRWDZBQOSA-N 1 0 297.442 4.586 50 0 CJAARO CCCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000020925345 171280268 /nfs/dbraw/zinc/28/02/68/171280268.db2.gz NCYNGQATJZLESD-QGZVFWFLSA-N 1 0 297.442 4.586 50 0 CJAARO CCCOc1ccc(C[NH2+]C2CCCCC2)cc1Cl ZINC000020925370 171280687 /nfs/dbraw/zinc/28/06/87/171280687.db2.gz YLFCHMAXQYNBQZ-UHFFFAOYSA-N 1 0 281.827 4.551 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(OCCC)c(Cl)c1 ZINC000020925527 171280617 /nfs/dbraw/zinc/28/06/17/171280617.db2.gz UKZFJKDURCSZNQ-UHFFFAOYSA-N 1 0 283.843 4.799 50 0 CJAARO CCCOc1ccc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000020925617 171280311 /nfs/dbraw/zinc/28/03/11/171280311.db2.gz GFDNTDZLVCHEDF-UHFFFAOYSA-N 1 0 295.854 4.941 50 0 CJAARO CCCOc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1Cl ZINC000020926212 171280531 /nfs/dbraw/zinc/28/05/31/171280531.db2.gz FZMURBAZMCEKMR-UHFFFAOYSA-N 1 0 290.234 4.670 50 0 CJAARO CCCC[NH2+]Cc1cc(Cl)c(OCCC)c(Cl)c1 ZINC000020926272 171280319 /nfs/dbraw/zinc/28/03/19/171280319.db2.gz XSUQVOQUZOJDQJ-UHFFFAOYSA-N 1 0 290.234 4.672 50 0 CJAARO CCCOc1c(Cl)cc(C[NH2+]CC(C)C)cc1Cl ZINC000020926372 171280622 /nfs/dbraw/zinc/28/06/22/171280622.db2.gz IXSOYOMRPKSTEH-UHFFFAOYSA-N 1 0 290.234 4.528 50 0 CJAARO CCCOc1c(Cl)cc(C[NH2+][C@@H](C)CC)cc1Cl ZINC000020926377 171280305 /nfs/dbraw/zinc/28/03/05/171280305.db2.gz GAUNSTPLUVBPNT-JTQLQIEISA-N 1 0 290.234 4.670 50 0 CJAARO CCCOc1c(Cl)cc(C[NH2+][C@H](C)CC)cc1Cl ZINC000020926383 171280407 /nfs/dbraw/zinc/28/04/07/171280407.db2.gz GAUNSTPLUVBPNT-SNVBAGLBSA-N 1 0 290.234 4.670 50 0 CJAARO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Cl ZINC000020928057 171280345 /nfs/dbraw/zinc/28/03/45/171280345.db2.gz LWVDGUAJHCYYJS-UHFFFAOYSA-N 1 0 283.843 4.653 50 0 CJAARO COc1ccc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000020928061 171280589 /nfs/dbraw/zinc/28/05/89/171280589.db2.gz HOFMJKLNKIWHKB-UHFFFAOYSA-N 1 0 281.827 4.551 50 0 CJAARO CCCCCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928385 171280385 /nfs/dbraw/zinc/28/03/85/171280385.db2.gz SGTUIGLSJNKWQN-UHFFFAOYSA-N 1 0 290.234 4.672 50 0 CJAARO CCCOc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000020928685 171280646 /nfs/dbraw/zinc/28/06/46/171280646.db2.gz FSUYLQZSQKIEBH-UHFFFAOYSA-N 1 0 281.827 4.551 50 0 CJAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OCCC ZINC000020928834 171280369 /nfs/dbraw/zinc/28/03/69/171280369.db2.gz AIIQMDLARRCFBZ-UHFFFAOYSA-N 1 0 283.843 4.799 50 0 CJAARO CCCOc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000020928936 171280451 /nfs/dbraw/zinc/28/04/51/171280451.db2.gz ZOVRDWGUPHPRFP-UHFFFAOYSA-N 1 0 295.854 4.941 50 0 CJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)C ZINC000020929999 171281173 /nfs/dbraw/zinc/28/11/73/171281173.db2.gz IIKFLINVVBNMOO-UHFFFAOYSA-N 1 0 290.234 4.670 50 0 CJAARO CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC ZINC000020930058 171280919 /nfs/dbraw/zinc/28/09/19/171280919.db2.gz JFOUPPRVEFNTTG-UHFFFAOYSA-N 1 0 290.234 4.672 50 0 CJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)C ZINC000020930164 171281136 /nfs/dbraw/zinc/28/11/36/171281136.db2.gz KKPXBQPVZCWICM-UHFFFAOYSA-N 1 0 290.234 4.528 50 0 CJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)CC ZINC000020930169 171281197 /nfs/dbraw/zinc/28/11/97/171281197.db2.gz SENIYMSIQWOZAJ-JTQLQIEISA-N 1 0 290.234 4.670 50 0 CJAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)CC ZINC000020930175 171281113 /nfs/dbraw/zinc/28/11/13/171281113.db2.gz SENIYMSIQWOZAJ-SNVBAGLBSA-N 1 0 290.234 4.670 50 0 CJAARO CCCOc1ccc2ccccc2c1C[NH2+]C(C)(C)C ZINC000020930459 171281143 /nfs/dbraw/zinc/28/11/43/171281143.db2.gz VHBGDGVUCDXKGO-UHFFFAOYSA-N 1 0 271.404 4.517 50 0 CJAARO CCCC[NH2+]Cc1c(OCCC)ccc2ccccc21 ZINC000020930524 171280914 /nfs/dbraw/zinc/28/09/14/171280914.db2.gz NTUNZPJADMTIMU-UHFFFAOYSA-N 1 0 271.404 4.518 50 0 CJAARO CCCOc1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000020930530 171280804 /nfs/dbraw/zinc/28/08/04/171280804.db2.gz BRNDDTQOKMNXPO-UHFFFAOYSA-N 1 0 283.415 4.661 50 0 CJAARO CCCCC[NH2+]Cc1c(OCCC)ccc2ccccc21 ZINC000020930608 171281205 /nfs/dbraw/zinc/28/12/05/171281205.db2.gz DEMLTBZHNJPZLV-UHFFFAOYSA-N 1 0 285.431 4.908 50 0 CJAARO CCCOc1ccc2ccccc2c1C[NH2+][C@@H](C)CC ZINC000020930625 171281026 /nfs/dbraw/zinc/28/10/26/171281026.db2.gz CFEWFIKOUPPJRP-AWEZNQCLSA-N 1 0 271.404 4.517 50 0 CJAARO CCCOc1ccc2ccccc2c1C[NH2+][C@H](C)CC ZINC000020930631 171280862 /nfs/dbraw/zinc/28/08/62/171280862.db2.gz CFEWFIKOUPPJRP-CQSZACIVSA-N 1 0 271.404 4.517 50 0 CJAARO CCCOc1ccc2ccccc2c1C[NH2+]CCC(C)C ZINC000020930871 171280891 /nfs/dbraw/zinc/28/08/91/171280891.db2.gz PPJJQALAMZOJOU-UHFFFAOYSA-N 1 0 285.431 4.764 50 0 CJAARO CCCOc1ccc2ccccc2c1C[NH2+]C(C)(C)CC ZINC000020930877 171280777 /nfs/dbraw/zinc/28/07/77/171280777.db2.gz ZLURGIKFEUDMTC-UHFFFAOYSA-N 1 0 285.431 4.907 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(OCCC)c(OCC)c1 ZINC000020933290 171280801 /nfs/dbraw/zinc/28/08/01/171280801.db2.gz JZOUYPRKMNDEHD-UHFFFAOYSA-N 1 0 293.451 4.544 50 0 CJAARO CCn1cc(C[NH2+][C@@H](C)c2ccccc2)c2ccccc21 ZINC000020934983 171281475 /nfs/dbraw/zinc/28/14/75/171281475.db2.gz CUNWVQGHQMVPBT-HNNXBMFYSA-N 1 0 278.399 4.512 50 0 CJAARO CCn1cc(C[NH2+][C@H](C)c2ccccc2)c2ccccc21 ZINC000020934989 171281510 /nfs/dbraw/zinc/28/15/10/171281510.db2.gz CUNWVQGHQMVPBT-OAHLLOKOSA-N 1 0 278.399 4.512 50 0 CJAARO CCn1cc(C[NH2+]Cc2ccccc2Cl)c2ccccc21 ZINC000020935005 171281603 /nfs/dbraw/zinc/28/16/03/171281603.db2.gz SDDPOOGRRZQRQX-UHFFFAOYSA-N 1 0 298.817 4.604 50 0 CJAARO CCn1cc(C[NH2+]C(C)(C)CC(C)(C)C)c2ccccc21 ZINC000020935200 171281730 /nfs/dbraw/zinc/28/17/30/171281730.db2.gz XIEJRXGYZFXEIC-UHFFFAOYSA-N 1 0 286.463 4.966 50 0 CJAARO CCn1cc(C[NH2+]C2CCCCCCC2)c2ccccc21 ZINC000020935205 171281653 /nfs/dbraw/zinc/28/16/53/171281653.db2.gz OGRFXMIARLHEBN-UHFFFAOYSA-N 1 0 284.447 4.864 50 0 CJAARO CC(C)c1ccc(C[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000021056468 171295984 /nfs/dbraw/zinc/29/59/84/171295984.db2.gz TYEPMBZLZOQSSO-HNNXBMFYSA-N 1 0 271.404 4.514 50 0 CJAARO CC(C)c1ccc(C[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000021056471 171295941 /nfs/dbraw/zinc/29/59/41/171295941.db2.gz TYEPMBZLZOQSSO-OAHLLOKOSA-N 1 0 271.404 4.514 50 0 CJAARO CC(C)CCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1 ZINC000021171061 171298760 /nfs/dbraw/zinc/29/87/60/171298760.db2.gz BPGCJXAAQWGPQB-MRXNPFEDSA-N 1 0 299.462 4.629 50 0 CJAARO CC(C)CCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1 ZINC000021171066 171298991 /nfs/dbraw/zinc/29/89/91/171298991.db2.gz BPGCJXAAQWGPQB-INIZCTEOSA-N 1 0 299.462 4.629 50 0 CJAARO Cc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000021508177 171308955 /nfs/dbraw/zinc/30/89/55/171308955.db2.gz UROHVIBKHWFKNJ-UHFFFAOYSA-N 1 0 294.225 4.634 50 0 CJAARO C[C@@H]([NH2+]Cc1cccc2ccccc21)c1cccc(F)c1 ZINC000021520495 171315505 /nfs/dbraw/zinc/31/55/05/171315505.db2.gz CBRHAGRWJWKDRE-CQSZACIVSA-N 1 0 279.358 4.830 50 0 CJAARO C[C@H]([NH2+]Cc1cccc2ccccc21)c1cccc(F)c1 ZINC000021520496 171315550 /nfs/dbraw/zinc/31/55/50/171315550.db2.gz CBRHAGRWJWKDRE-AWEZNQCLSA-N 1 0 279.358 4.830 50 0 CJAARO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)no1 ZINC000021719766 171320749 /nfs/dbraw/zinc/32/07/49/171320749.db2.gz GJGVWPXUIHNOAR-IBGZPJMESA-N 1 0 298.430 4.581 50 0 CJAARO CCCc1cc([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2C)no1 ZINC000021719768 171320303 /nfs/dbraw/zinc/32/03/03/171320303.db2.gz GJGVWPXUIHNOAR-LJQANCHMSA-N 1 0 298.430 4.581 50 0 CJAARO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)no1 ZINC000021719798 171320316 /nfs/dbraw/zinc/32/03/16/171320316.db2.gz ZNBYKWNLBRLYNM-IBGZPJMESA-N 1 0 298.430 4.581 50 0 CJAARO CCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2C)no1 ZINC000021719800 171320556 /nfs/dbraw/zinc/32/05/56/171320556.db2.gz ZNBYKWNLBRLYNM-LJQANCHMSA-N 1 0 298.430 4.581 50 0 CJAARO C[C@@H]([NH2+]Cc1cccc2ccccc21)c1ccc(F)cc1 ZINC000021818365 171333073 /nfs/dbraw/zinc/33/30/73/171333073.db2.gz GSWDQORZKJSPEV-CQSZACIVSA-N 1 0 279.358 4.830 50 0 CJAARO C[C@H]([NH2+]Cc1cccc2ccccc21)c1ccc(F)cc1 ZINC000021818367 171333342 /nfs/dbraw/zinc/33/33/42/171333342.db2.gz GSWDQORZKJSPEV-AWEZNQCLSA-N 1 0 279.358 4.830 50 0 CJAARO Cc1ccc(-c2csc3sc4ccccc4[n+]23)cc1 ZINC000022018571 171349544 /nfs/dbraw/zinc/34/95/44/171349544.db2.gz XPEMQQXBTSPQRT-UHFFFAOYSA-N 1 0 282.413 4.677 50 0 CJAARO C[C@@H](CC[N@@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000022023231 256874439 /nfs/dbraw/zinc/87/44/39/256874439.db2.gz YUWXDQSNYTUSNB-FXAWDEMLSA-N 1 0 294.442 4.802 50 0 CJAARO C[C@H](CC[N@@H+]1CCCC[C@@H]1c1cccnc1)c1ccccc1 ZINC000022023232 567881198 /nfs/dbraw/zinc/88/11/98/567881198.db2.gz YUWXDQSNYTUSNB-YLJYHZDGSA-N 1 0 294.442 4.802 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000022150656 570308680 /nfs/dbraw/zinc/30/86/80/570308680.db2.gz VGYSFKNYFNJISQ-NEPJUHHUSA-N 1 0 277.770 4.891 50 0 CJAARO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000022150660 570308584 /nfs/dbraw/zinc/30/85/84/570308584.db2.gz VGYSFKNYFNJISQ-RYUDHWBXSA-N 1 0 277.770 4.891 50 0 CJAARO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(F)cc1 ZINC000022150663 570308591 /nfs/dbraw/zinc/30/85/91/570308591.db2.gz VGYSFKNYFNJISQ-VXGBXAGGSA-N 1 0 277.770 4.891 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccccc1Cl ZINC000022150666 256864740 /nfs/dbraw/zinc/86/47/40/256864740.db2.gz VGYSFKNYFNJISQ-NWDGAFQWSA-N 1 0 277.770 4.891 50 0 CJAARO Cc1ccc(OCCCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000022171354 171368244 /nfs/dbraw/zinc/36/82/44/171368244.db2.gz DDCSAWJMMKQKSR-UHFFFAOYSA-N 1 0 295.854 4.539 50 0 CJAARO Cc1cc(C)c(C)c(OCCCC[NH+]2CCC(C)CC2)c1 ZINC000022171378 171368200 /nfs/dbraw/zinc/36/82/00/171368200.db2.gz GXPAFUGCMYBERP-UHFFFAOYSA-N 1 0 289.463 4.503 50 0 CJAARO CCc1c(C)[nH]c(/C=C2/[NH+]=C(C)C(CC)=C2C)c1C ZINC000022172365 171368548 /nfs/dbraw/zinc/36/85/48/171368548.db2.gz QSPGBUOFJNDGBP-RQZCQDPDSA-N 1 0 256.393 4.736 50 0 CJAARO CCCCN(CCCC)CC[NH+](CCCC)CCCC ZINC000022581518 171392671 /nfs/dbraw/zinc/39/26/71/171392671.db2.gz DNJDQMRARVPSHZ-UHFFFAOYSA-N 1 0 284.532 4.791 50 0 CJAARO Clc1ccc(Oc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000023281380 567881451 /nfs/dbraw/zinc/88/14/51/567881451.db2.gz XTDCKPDIIINNFY-UHFFFAOYSA-N 1 0 287.790 4.728 50 0 CJAARO COc1ccc(C[NH2+]C2CCC(c3ccccc3)CC2)cc1 ZINC000023283411 171419099 /nfs/dbraw/zinc/41/90/99/171419099.db2.gz NNZYHZRBWQGMJX-UHFFFAOYSA-N 1 0 295.426 4.511 50 0 CJAARO CCCC[NH2+]CCCCCCOc1ccc(Cl)c(C)c1 ZINC000023550075 567888692 /nfs/dbraw/zinc/88/86/92/567888692.db2.gz LUTJVKLALOVQMF-UHFFFAOYSA-N 1 0 297.870 4.977 50 0 CJAARO Cc1cc(OCCCC[NH+]2CCCCC2)cc(C)c1Cl ZINC000023634545 567882010 /nfs/dbraw/zinc/88/20/10/567882010.db2.gz YXNIEIQGGLIDKA-UHFFFAOYSA-N 1 0 295.854 4.602 50 0 CJAARO Cc1cc(NC2CCCC2)nc2cc(Cl)ccc12 ZINC000023634713 567881975 /nfs/dbraw/zinc/88/19/75/567881975.db2.gz HRFYFCZJKOFWKS-UHFFFAOYSA-N 1 0 260.768 4.551 50 0 CJAARO CCC[N@H+](CC1CC1)Cn1c2ccccc2sc1=S ZINC000025227770 570229831 /nfs/dbraw/zinc/22/98/31/570229831.db2.gz ZZQYYRWGSDTCOK-UHFFFAOYSA-N 1 0 292.473 4.512 50 0 CJAARO Cc1ccccc1[C@]1(C2CCCCC2)CCCC[NH2+]1 ZINC000025579767 570230973 /nfs/dbraw/zinc/23/09/73/570230973.db2.gz ASLFLDDPTREMCT-GOSISDBHSA-N 1 0 257.421 4.544 50 0 CJAARO Cc1[nH]c(/C=C/C=C2/[NH+]=C(C)C(C)=C2C)c(C)c1C ZINC000025725406 570231397 /nfs/dbraw/zinc/23/13/97/570231397.db2.gz YMFGBHQLBBVXJU-ITDUAQOSSA-N 1 0 254.377 4.648 50 0 CJAARO Cc1c[nH]c(C2=C/C(=C3\[NH+]=CC(C)=C3C)CCC2)c1C ZINC000025726125 570231386 /nfs/dbraw/zinc/23/13/86/570231386.db2.gz UOBVJCOKXZYVTL-VLGSPTGOSA-N 1 0 266.388 4.874 50 0 CJAARO C1C2CC3CC1CC([NH2+]C14CC5CC(CC(C5)C1)C4)(C2)C3 ZINC000026673991 570232436 /nfs/dbraw/zinc/23/24/36/570232436.db2.gz ZCRDWNXWXYYDEJ-UHFFFAOYSA-N 1 0 285.475 4.514 50 0 CJAARO c1ccc(C2([NH+]3CCCCC3)CCCCCC2)cc1 ZINC000029218394 567883867 /nfs/dbraw/zinc/88/38/67/567883867.db2.gz OLMVIGSBFHLRAY-UHFFFAOYSA-N 1 0 257.421 4.722 50 0 CJAARO C[NH2+][C@@H](C)CC12C[C@H]3CC(C[C@H](C3)C1)[C@@H]2c1ccccc1 ZINC000031880293 567885274 /nfs/dbraw/zinc/88/52/74/567885274.db2.gz HMQZDEVWTFIVEX-CKDXCQQFSA-N 1 0 283.459 4.595 50 0 CJAARO C[NH2+][C@H](C)CC12C[C@H]3CC(C[C@H](C3)C1)[C@@H]2c1ccccc1 ZINC000031880295 171652399 /nfs/dbraw/zinc/65/23/99/171652399.db2.gz HMQZDEVWTFIVEX-QVHGZEKWSA-N 1 0 283.459 4.595 50 0 CJAARO Cc1ccccc1COc1ccccc1C[NH2+]C1CCCC1 ZINC000032159565 567885997 /nfs/dbraw/zinc/88/59/97/567885997.db2.gz HFIDOARLFFBBDC-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO Cc1cccc(COc2ccccc2C[NH2+]C2CCCC2)c1 ZINC000032159567 567885941 /nfs/dbraw/zinc/88/59/41/567885941.db2.gz XYUTXPUIVHKFKF-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO Cc1ccccc1COc1cccc(C[NH2+]C2CCCC2)c1 ZINC000032159572 567885926 /nfs/dbraw/zinc/88/59/26/567885926.db2.gz VFTHZMDNUNKJQH-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO Cc1cccc(COc2cccc(C[NH2+]C3CCCC3)c2)c1 ZINC000032159574 567886110 /nfs/dbraw/zinc/88/61/10/567886110.db2.gz SEALBFIDKHYRAB-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO Cc1ccccc1COc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000032159579 567885924 /nfs/dbraw/zinc/88/59/24/567885924.db2.gz DYTPWJGJZMXKLZ-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO Cc1cccc(COc2ccc(C[NH2+]C3CCCC3)cc2)c1 ZINC000032159581 567885789 /nfs/dbraw/zinc/88/57/89/567885789.db2.gz UVEMWHKVIBMXRA-UHFFFAOYSA-N 1 0 295.426 4.606 50 0 CJAARO Cc1ccccc1C1([NH+]2CCCCC2)CCCCC1 ZINC000032250046 570310957 /nfs/dbraw/zinc/31/09/57/570310957.db2.gz BTVRTYILYFQDEB-UHFFFAOYSA-N 1 0 257.421 4.640 50 0 CJAARO Cc1ccc2cc(C[NH+]3CCCCCC3)c(Cl)nc2c1 ZINC000032739707 567867408 /nfs/dbraw/zinc/86/74/08/567867408.db2.gz ANMFSMGUKVPLGJ-UHFFFAOYSA-N 1 0 288.822 4.573 50 0 CJAARO c1csc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087312 567886704 /nfs/dbraw/zinc/88/67/04/567886704.db2.gz FBNWIKFDFYIHBM-AWEZNQCLSA-N 1 0 277.458 4.927 50 0 CJAARO c1csc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087313 567886776 /nfs/dbraw/zinc/88/67/76/567886776.db2.gz FBNWIKFDFYIHBM-CQSZACIVSA-N 1 0 277.458 4.927 50 0 CJAARO CC[NH2+]Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000034670660 567888793 /nfs/dbraw/zinc/88/87/93/567888793.db2.gz GYPWVEKJTLLZQK-UHFFFAOYSA-N 1 0 273.445 4.822 50 0 CJAARO C[C@@H](c1ccc(C(C)(C)C)cc1)n1c(N)[nH+]c2ccccc21 ZINC000034798163 567888801 /nfs/dbraw/zinc/88/88/01/567888801.db2.gz KZFMZLZNMQZFQO-ZDUSSCGKSA-N 1 0 293.414 4.525 50 0 CJAARO C[C@H](c1ccc(C(C)(C)C)cc1)n1c(N)[nH+]c2ccccc21 ZINC000034798164 567889001 /nfs/dbraw/zinc/88/90/01/567889001.db2.gz KZFMZLZNMQZFQO-CYBMUJFWSA-N 1 0 293.414 4.525 50 0 CJAARO CC(C)Oc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000034991125 567835483 /nfs/dbraw/zinc/83/54/83/567835483.db2.gz CXJIQMUXDNOHOS-UHFFFAOYSA-N 1 0 275.436 4.676 50 0 CJAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)o1 ZINC000034993596 566843033 /nfs/dbraw/zinc/84/30/33/566843033.db2.gz YLCNCMPAQBONJK-SNVBAGLBSA-N 1 0 284.186 4.746 50 0 CJAARO Cc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)c(Cl)c2)o1 ZINC000034993597 566843504 /nfs/dbraw/zinc/84/35/04/566843504.db2.gz YLCNCMPAQBONJK-JTQLQIEISA-N 1 0 284.186 4.746 50 0 CJAARO c1cc(-c2ccccc2)sc1C[NH2+]C1CCCCC1 ZINC000034994509 171923165 /nfs/dbraw/zinc/92/31/65/171923165.db2.gz XYZXNFHTCDYOAE-UHFFFAOYSA-N 1 0 271.429 4.837 50 0 CJAARO c1ccc(C(c2ccccc2)[NH+]2CC(c3ccccc3)C2)cc1 ZINC000035061596 567888964 /nfs/dbraw/zinc/88/89/64/567888964.db2.gz PAXDHGAELYIMBD-UHFFFAOYSA-N 1 0 299.417 4.875 50 0 CJAARO CC(C)Oc1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000035258706 172091385 /nfs/dbraw/zinc/09/13/85/172091385.db2.gz OKAFFMWWHQVUDA-UHFFFAOYSA-N 1 0 275.436 4.676 50 0 CJAARO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1cc(C(C)C)no1 ZINC000035511295 172242380 /nfs/dbraw/zinc/24/23/80/172242380.db2.gz DELSPIOKLXJXOU-CQSZACIVSA-N 1 0 290.432 4.505 50 0 CJAARO Cc1ccsc1C[N@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000035511296 172242659 /nfs/dbraw/zinc/24/26/59/172242659.db2.gz DELSPIOKLXJXOU-AWEZNQCLSA-N 1 0 290.432 4.505 50 0 CJAARO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000035548348 172256623 /nfs/dbraw/zinc/25/66/23/172256623.db2.gz DTZBWUVGBVQCHG-LBPRGKRZSA-N 1 0 279.305 4.556 50 0 CJAARO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1 ZINC000035548351 172257020 /nfs/dbraw/zinc/25/70/20/172257020.db2.gz DTZBWUVGBVQCHG-GFCCVEGCSA-N 1 0 279.305 4.556 50 0 CJAARO Clc1ccc(NC2=[NH+]c3ccccc3SC2)cc1 ZINC000035682729 172353477 /nfs/dbraw/zinc/35/34/77/172353477.db2.gz TZLDRZWODOVIPA-UHFFFAOYSA-N 1 0 274.776 4.588 50 0 CJAARO CC(C)C[NH2+]C[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000036396591 567000612 /nfs/dbraw/zinc/00/06/12/567000612.db2.gz KQKHGPMZFIZIGZ-MRXNPFEDSA-N 1 0 298.455 4.607 50 0 CJAARO CC(C)C[NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000036396592 172633650 /nfs/dbraw/zinc/63/36/50/172633650.db2.gz KQKHGPMZFIZIGZ-INIZCTEOSA-N 1 0 298.455 4.607 50 0 CJAARO C[NH2+]Cc1ccccc1Oc1cc(Cl)cc(Cl)c1 ZINC000036814568 567889610 /nfs/dbraw/zinc/88/96/10/567889610.db2.gz QRFDCLWTIGDTKG-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO CC[C@H]([NH2+]Cc1ccc(C)s1)c1cccc(Cl)c1 ZINC000036921222 567007820 /nfs/dbraw/zinc/00/78/20/567007820.db2.gz RMESWUVZGIPAGJ-HNNXBMFYSA-N 1 0 279.836 4.951 50 0 CJAARO CC[C@@H]([NH2+]Cc1ccc(C)s1)c1cccc(Cl)c1 ZINC000036921223 567008183 /nfs/dbraw/zinc/00/81/83/567008183.db2.gz RMESWUVZGIPAGJ-OAHLLOKOSA-N 1 0 279.836 4.951 50 0 CJAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1F ZINC000037099851 570362471 /nfs/dbraw/zinc/36/24/71/570362471.db2.gz IWZXPKQXHJOJOA-VHRBIJSZSA-N 1 0 289.316 4.597 50 0 CJAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1F ZINC000037099853 570362603 /nfs/dbraw/zinc/36/26/03/570362603.db2.gz IWZXPKQXHJOJOA-JKOKRWQUSA-N 1 0 289.316 4.597 50 0 CJAARO c1cc(-c2ccccc2)sc1C[NH2+]C(C1CC1)C1CC1 ZINC000037230171 173050383 /nfs/dbraw/zinc/05/03/83/173050383.db2.gz HJLUPHIOGUTARO-UHFFFAOYSA-N 1 0 283.440 4.693 50 0 CJAARO COc1ccc2ccccc2c1C[NH2+]CC1CCCCC1 ZINC000037247771 173060066 /nfs/dbraw/zinc/06/00/66/173060066.db2.gz PUEIOJAPERWQOI-UHFFFAOYSA-N 1 0 283.415 4.518 50 0 CJAARO c1ccc2cc(C[NH2+]CC3CCCCC3)ccc2c1 ZINC000037247821 173060232 /nfs/dbraw/zinc/06/02/32/173060232.db2.gz OBCAVIRRNNMRGU-UHFFFAOYSA-N 1 0 253.389 4.510 50 0 CJAARO COc1ccc2ccccc2c1C[NH2+]C1CCC(C)CC1 ZINC000037247880 173060170 /nfs/dbraw/zinc/06/01/70/173060170.db2.gz SYZBKPXWCKCZGT-UHFFFAOYSA-N 1 0 283.415 4.517 50 0 CJAARO CC(C)Oc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000037312488 173115332 /nfs/dbraw/zinc/11/53/32/173115332.db2.gz CCVGRCPXEPVOJY-UHFFFAOYSA-N 1 0 277.452 4.778 50 0 CJAARO CC(C)Oc1ccccc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000037312489 173114934 /nfs/dbraw/zinc/11/49/34/173114934.db2.gz RJPRDNZOZYIMSF-UHFFFAOYSA-N 1 0 277.452 4.778 50 0 CJAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000037508153 173242665 /nfs/dbraw/zinc/24/26/65/173242665.db2.gz FOAADCHFMZCXGB-CABCVRRESA-N 1 0 283.415 4.669 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2)cc1 ZINC000037508154 173242424 /nfs/dbraw/zinc/24/24/24/173242424.db2.gz FOAADCHFMZCXGB-GJZGRUSLSA-N 1 0 283.415 4.669 50 0 CJAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2)cc1 ZINC000037508155 173242626 /nfs/dbraw/zinc/24/26/26/173242626.db2.gz FOAADCHFMZCXGB-HUUCEWRRSA-N 1 0 283.415 4.669 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2)cc1 ZINC000037508156 173242686 /nfs/dbraw/zinc/24/26/86/173242686.db2.gz FOAADCHFMZCXGB-LSDHHAIUSA-N 1 0 283.415 4.669 50 0 CJAARO COc1cccc([C@H](C)[NH2+][C@H](c2ccccc2)C(C)C)c1 ZINC000037508208 173243027 /nfs/dbraw/zinc/24/30/27/173243027.db2.gz RPHZNDPOGGRXHY-KXBFYZLASA-N 1 0 283.415 4.743 50 0 CJAARO COc1cccc([C@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)c1 ZINC000037508209 173242582 /nfs/dbraw/zinc/24/25/82/173242582.db2.gz RPHZNDPOGGRXHY-HNAYVOBHSA-N 1 0 283.415 4.743 50 0 CJAARO COc1cccc([C@@H](C)[NH2+][C@H](c2ccccc2)C(C)C)c1 ZINC000037508210 173242447 /nfs/dbraw/zinc/24/24/47/173242447.db2.gz RPHZNDPOGGRXHY-BEFAXECRSA-N 1 0 283.415 4.743 50 0 CJAARO COc1cccc([C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)c1 ZINC000037508211 173242526 /nfs/dbraw/zinc/24/25/26/173242526.db2.gz RPHZNDPOGGRXHY-DNVCBOLYSA-N 1 0 283.415 4.743 50 0 CJAARO c1c2ccccc2sc1-c1cncc(C[NH+]2CCCC2)c1 ZINC000037553841 567068274 /nfs/dbraw/zinc/06/82/74/567068274.db2.gz FOJXNUJGZVPQKN-UHFFFAOYSA-N 1 0 294.423 4.559 50 0 CJAARO Cc1cc(C)cc(-c2cncc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000037553902 567928097 /nfs/dbraw/zinc/92/80/97/567928097.db2.gz PDHZDFAIBMCOOZ-UHFFFAOYSA-N 1 0 294.442 4.597 50 0 CJAARO CC[N@H+](C)Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000037554040 567068237 /nfs/dbraw/zinc/06/82/37/567068237.db2.gz GOMRLSXJQWRCKW-UHFFFAOYSA-N 1 0 295.213 4.507 50 0 CJAARO Cc1cc(C[NH3+])ccc1Oc1ccc(Cl)cc1Cl ZINC000037733410 260163048 /nfs/dbraw/zinc/16/30/48/260163048.db2.gz JSCMVSYAUZZKDW-UHFFFAOYSA-N 1 0 282.170 4.553 50 0 CJAARO COc1cccc([C@H](C)[NH2+]Cc2ccc(C(C)C)cc2)c1 ZINC000037771310 567950922 /nfs/dbraw/zinc/95/09/22/567950922.db2.gz FBHMLJYDOIIUSW-HNNXBMFYSA-N 1 0 283.415 4.669 50 0 CJAARO C[C@H]([NH3+])c1ccccc1Oc1ccc(Cl)c(Cl)c1 ZINC000038001493 173964512 /nfs/dbraw/zinc/96/45/12/173964512.db2.gz WMBBWHKMNYQPJC-VIFPVBQESA-N 1 0 282.170 4.805 50 0 CJAARO C[C@@H]([NH3+])c1ccccc1Oc1ccc(Cl)c(Cl)c1 ZINC000038001494 570313761 /nfs/dbraw/zinc/31/37/61/570313761.db2.gz WMBBWHKMNYQPJC-SECBINFHSA-N 1 0 282.170 4.805 50 0 CJAARO C[NH2+]Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 ZINC000038001535 567882509 /nfs/dbraw/zinc/88/25/09/567882509.db2.gz CPHHHCKJXRNBLC-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO c1csc(CC[NH2+]Cc2cc(-c3ccccc3)cs2)c1 ZINC000038030716 174022624 /nfs/dbraw/zinc/02/26/24/174022624.db2.gz HIZBAPUVQDACIR-UHFFFAOYSA-N 1 0 299.464 4.809 50 0 CJAARO C[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000039154339 174164136 /nfs/dbraw/zinc/16/41/36/174164136.db2.gz MFYPEHPDXKRQOI-KRWDZBQOSA-N 1 0 279.427 4.702 50 0 CJAARO CC(C)[NH+](CC[C@@H](c1ccccc1)c1ccccn1)C(C)C ZINC000039279291 260171894 /nfs/dbraw/zinc/17/18/94/260171894.db2.gz GFXULIDILONRED-IBGZPJMESA-N 1 0 296.458 4.722 50 0 CJAARO CC(C)[NH+](CC[C@H](c1ccccc1)c1ccccn1)C(C)C ZINC000039279292 260171850 /nfs/dbraw/zinc/17/18/50/260171850.db2.gz GFXULIDILONRED-LJQANCHMSA-N 1 0 296.458 4.722 50 0 CJAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccncc1 ZINC000039976532 174181089 /nfs/dbraw/zinc/18/10/89/174181089.db2.gz PYDNBDQUAKKXAX-INIZCTEOSA-N 1 0 288.394 4.599 50 0 CJAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccncc1 ZINC000039976533 174181017 /nfs/dbraw/zinc/18/10/17/174181017.db2.gz PYDNBDQUAKKXAX-MRXNPFEDSA-N 1 0 288.394 4.599 50 0 CJAARO Cc1oc(-c2cccs2)nc1C[N@@H+](CC(C)C)C(C)C ZINC000040072632 174186920 /nfs/dbraw/zinc/18/69/20/174186920.db2.gz FOOMBARJIWOXIB-UHFFFAOYSA-N 1 0 292.448 4.578 50 0 CJAARO c1cc([C@H]2CCC[N@H+]2CCCc2ccccc2)cs1 ZINC000040153558 174194755 /nfs/dbraw/zinc/19/47/55/174194755.db2.gz ZEWPAAOQSCYQND-QGZVFWFLSA-N 1 0 271.429 4.518 50 0 CJAARO c1cc([C@@H]2CCC[N@H+]2CCCc2ccccc2)cs1 ZINC000040153559 174194487 /nfs/dbraw/zinc/19/44/87/174194487.db2.gz ZEWPAAOQSCYQND-KRWDZBQOSA-N 1 0 271.429 4.518 50 0 CJAARO C[NH2+]Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1 ZINC000040391284 174252474 /nfs/dbraw/zinc/25/24/74/174252474.db2.gz LIXNFPLJNWIWDI-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO CC(C)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721286 174385540 /nfs/dbraw/zinc/38/55/40/174385540.db2.gz DISLYHWBIWIJBG-UHFFFAOYSA-N 1 0 297.320 4.711 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721288 174385182 /nfs/dbraw/zinc/38/51/82/174385182.db2.gz PNQAHUZWLBEQJU-LLVKDONJSA-N 1 0 297.320 4.854 50 0 CJAARO CC[C@H](C)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721290 174385115 /nfs/dbraw/zinc/38/51/15/174385115.db2.gz PNQAHUZWLBEQJU-NSHDSACASA-N 1 0 297.320 4.854 50 0 CJAARO CCn1cc(C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000040722095 174385292 /nfs/dbraw/zinc/38/52/92/174385292.db2.gz MKTSCQKWCUEQMO-UHFFFAOYSA-N 1 0 282.431 4.641 50 0 CJAARO CCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000040722633 174385239 /nfs/dbraw/zinc/38/52/39/174385239.db2.gz UWNOSJKZNJZRRA-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1cccc(COc2ccc(C[NH2+]CCC(C)C)cc2)c1 ZINC000040722666 174385353 /nfs/dbraw/zinc/38/53/53/174385353.db2.gz AEXLSNGWFPRDRA-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000040722667 174385566 /nfs/dbraw/zinc/38/55/66/174385566.db2.gz STBQBZUPRMUSLQ-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCCCC[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000040722690 174385510 /nfs/dbraw/zinc/38/55/10/174385510.db2.gz ZCNYNOKGVWXNLJ-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1ccccc1COc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000040722723 174385376 /nfs/dbraw/zinc/38/53/76/174385376.db2.gz JBZGCZFDOODILO-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000040722724 174385362 /nfs/dbraw/zinc/38/53/62/174385362.db2.gz AGHSJLKIRWKHSI-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(OC(C)C)c(OCC)c1 ZINC000040728703 174388185 /nfs/dbraw/zinc/38/81/85/174388185.db2.gz FNDPQSRACHEEAP-UHFFFAOYSA-N 1 0 293.451 4.542 50 0 CJAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]C(C)(C)C ZINC000040729574 174388216 /nfs/dbraw/zinc/38/82/16/174388216.db2.gz MDGWRIZKFRUUIF-UHFFFAOYSA-N 1 0 271.404 4.515 50 0 CJAARO CCCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729594 174388368 /nfs/dbraw/zinc/38/83/68/174388368.db2.gz DZJHELVBTLIBNN-UHFFFAOYSA-N 1 0 271.404 4.517 50 0 CJAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000040729597 174388353 /nfs/dbraw/zinc/38/83/53/174388353.db2.gz ICJOGZLPAGKMOM-UHFFFAOYSA-N 1 0 283.415 4.659 50 0 CJAARO CCCCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729629 174388260 /nfs/dbraw/zinc/38/82/60/174388260.db2.gz SDXJXWRFSMUNEK-UHFFFAOYSA-N 1 0 285.431 4.907 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729638 174388332 /nfs/dbraw/zinc/38/83/32/174388332.db2.gz KVCSDRPYWZEBTO-CQSZACIVSA-N 1 0 271.404 4.515 50 0 CJAARO CC[C@H](C)[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729640 174388310 /nfs/dbraw/zinc/38/83/10/174388310.db2.gz KVCSDRPYWZEBTO-AWEZNQCLSA-N 1 0 271.404 4.515 50 0 CJAARO CC(C)CC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729728 174388105 /nfs/dbraw/zinc/38/81/05/174388105.db2.gz ZBGDJGLTAYNNLY-UHFFFAOYSA-N 1 0 285.431 4.763 50 0 CJAARO CCC(C)(C)[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729730 174388245 /nfs/dbraw/zinc/38/82/45/174388245.db2.gz GVGMQIAHLMZQAM-UHFFFAOYSA-N 1 0 285.431 4.905 50 0 CJAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)C ZINC000040729751 174388234 /nfs/dbraw/zinc/38/82/34/174388234.db2.gz DUSHNOSVEXBNRE-UHFFFAOYSA-N 1 0 290.234 4.669 50 0 CJAARO CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729774 174388136 /nfs/dbraw/zinc/38/81/36/174388136.db2.gz DZRNZQOOXBWPAK-UHFFFAOYSA-N 1 0 290.234 4.670 50 0 CJAARO CC(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729813 174388156 /nfs/dbraw/zinc/38/81/56/174388156.db2.gz MPSQNWNFUCMYOY-UHFFFAOYSA-N 1 0 290.234 4.526 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729815 174388345 /nfs/dbraw/zinc/38/83/45/174388345.db2.gz DSSWOXNCWKHAQP-SNVBAGLBSA-N 1 0 290.234 4.669 50 0 CJAARO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000040729818 174388116 /nfs/dbraw/zinc/38/81/16/174388116.db2.gz DSSWOXNCWKHAQP-JTQLQIEISA-N 1 0 290.234 4.669 50 0 CJAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000040730279 260178961 /nfs/dbraw/zinc/17/89/61/260178961.db2.gz MQQPMYURSHCGJC-UHFFFAOYSA-N 1 0 281.827 4.550 50 0 CJAARO CCCCCC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730339 567890961 /nfs/dbraw/zinc/89/09/61/567890961.db2.gz MFUGSUVBUTZTPG-UHFFFAOYSA-N 1 0 283.843 4.797 50 0 CJAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000040730382 567890657 /nfs/dbraw/zinc/89/06/57/567890657.db2.gz ZZXVCMQWDFLJML-UHFFFAOYSA-N 1 0 295.854 4.940 50 0 CJAARO CC(C)Oc1c(Cl)cc(C[NH2+]C(C)(C)C)cc1Cl ZINC000040730637 567890754 /nfs/dbraw/zinc/89/07/54/567890754.db2.gz WFTWHPBIUFGRPR-UHFFFAOYSA-N 1 0 290.234 4.669 50 0 CJAARO CCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730658 567890686 /nfs/dbraw/zinc/89/06/86/567890686.db2.gz HAUOWGBFWNEJLY-UHFFFAOYSA-N 1 0 290.234 4.670 50 0 CJAARO CC(C)C[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730709 256876021 /nfs/dbraw/zinc/87/60/21/256876021.db2.gz ITARFBRLCGUWDD-UHFFFAOYSA-N 1 0 290.234 4.526 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730712 256876015 /nfs/dbraw/zinc/87/60/15/256876015.db2.gz MQRZEAPGMNQRCS-SNVBAGLBSA-N 1 0 290.234 4.669 50 0 CJAARO CC[C@H](C)[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000040730715 567890721 /nfs/dbraw/zinc/89/07/21/567890721.db2.gz MQRZEAPGMNQRCS-JTQLQIEISA-N 1 0 290.234 4.669 50 0 CJAARO CC(C)Oc1ccc(C[NH2+]C2CCCCC2)cc1Cl ZINC000040731016 567891027 /nfs/dbraw/zinc/89/10/27/567891027.db2.gz ZOKOCOYIXFDMJV-UHFFFAOYSA-N 1 0 281.827 4.550 50 0 CJAARO CCCCCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731086 567890858 /nfs/dbraw/zinc/89/08/58/567890858.db2.gz ZTQZLVYBPVOARB-UHFFFAOYSA-N 1 0 283.843 4.797 50 0 CJAARO CC(C)Oc1ccc(C[NH2+]C2CCCCCC2)cc1Cl ZINC000040731131 567891023 /nfs/dbraw/zinc/89/10/23/567891023.db2.gz CMGGMBSLXHGGPB-UHFFFAOYSA-N 1 0 295.854 4.940 50 0 CJAARO CC(C)Oc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040731203 567907737 /nfs/dbraw/zinc/90/77/37/567907737.db2.gz FMQXOFVRIIMINM-UHFFFAOYSA-N 1 0 299.458 4.532 50 0 CJAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1 ZINC000040731228 567907960 /nfs/dbraw/zinc/90/79/60/567907960.db2.gz BGDHMAOUZFXLQA-KRWDZBQOSA-N 1 0 297.442 4.585 50 0 CJAARO CC(C)Oc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1 ZINC000040731230 184547535 /nfs/dbraw/zinc/54/75/35/184547535.db2.gz BGDHMAOUZFXLQA-QGZVFWFLSA-N 1 0 297.442 4.585 50 0 CJAARO CC(C)Oc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000040731236 567907852 /nfs/dbraw/zinc/90/78/52/567907852.db2.gz SZQQBTPPNIETRF-UHFFFAOYSA-N 1 0 299.458 4.532 50 0 CJAARO CC(C)Oc1cccc(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000040731250 567907979 /nfs/dbraw/zinc/90/79/79/567907979.db2.gz GLGJRDATJCNEQD-UHFFFAOYSA-N 1 0 277.452 4.778 50 0 CJAARO CC(C)Oc1cccc(C[NH2+]C2CCCCCCC2)c1 ZINC000040731253 567907841 /nfs/dbraw/zinc/90/78/41/567907841.db2.gz KYGGTKNBTLWDKV-UHFFFAOYSA-N 1 0 275.436 4.676 50 0 CJAARO CC(C)Oc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000040731264 567908045 /nfs/dbraw/zinc/90/80/45/567908045.db2.gz NOXUNJJHJNMYMR-KRWDZBQOSA-N 1 0 297.442 4.585 50 0 CJAARO CC(C)Oc1cccc(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000040731267 184547523 /nfs/dbraw/zinc/54/75/23/184547523.db2.gz NOXUNJJHJNMYMR-QGZVFWFLSA-N 1 0 297.442 4.585 50 0 CJAARO CC(C)Oc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000040731273 567907752 /nfs/dbraw/zinc/90/77/52/567907752.db2.gz HFFHABQCUYVPGH-UHFFFAOYSA-N 1 0 299.458 4.532 50 0 CJAARO CC(C)Oc1ccccc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000040731299 567907812 /nfs/dbraw/zinc/90/78/12/567907812.db2.gz LHXLTKUKQVOASV-KRWDZBQOSA-N 1 0 297.442 4.585 50 0 CJAARO CC(C)Oc1ccccc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000040731301 567907884 /nfs/dbraw/zinc/90/78/84/567907884.db2.gz LHXLTKUKQVOASV-QGZVFWFLSA-N 1 0 297.442 4.585 50 0 CJAARO Cc1cccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1 ZINC000040731322 567908001 /nfs/dbraw/zinc/90/80/01/567908001.db2.gz SHDWFKNWZSMMKI-REPIYIIUSA-N 1 0 283.459 4.834 50 0 CJAARO CCCCC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000040731411 567890920 /nfs/dbraw/zinc/89/09/20/567890920.db2.gz MSUBAFCWJKIRIW-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1cccc(COc2ccccc2C[NH2+]CCC(C)C)c1 ZINC000040731520 174388787 /nfs/dbraw/zinc/38/87/87/174388787.db2.gz PQBXTNPNYFLZDP-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000040731523 174388645 /nfs/dbraw/zinc/38/86/45/174388645.db2.gz QXZCGYXGDOGCOR-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCCCC[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000040731595 174388574 /nfs/dbraw/zinc/38/85/74/174388574.db2.gz SEOALUXTARHTIJ-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1ccccc1COc1ccccc1C[NH2+]CCC(C)C ZINC000040731705 174388811 /nfs/dbraw/zinc/38/88/11/174388811.db2.gz YWIDAHMVKRTZHT-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO CCC(C)(C)[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000040731708 174388750 /nfs/dbraw/zinc/38/87/50/174388750.db2.gz RAGJJPVBAOYBPU-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCCCC[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000040738112 174389865 /nfs/dbraw/zinc/38/98/65/174389865.db2.gz ZRLOCIUAYICLPT-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1cccc(COc2cccc(C[NH2+]CCC(C)C)c2)c1 ZINC000040738211 174389859 /nfs/dbraw/zinc/38/98/59/174389859.db2.gz QNBJIUUFKNUPBS-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000040738214 174389966 /nfs/dbraw/zinc/38/99/66/174389966.db2.gz PSNXIPMWPNHKED-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO CCCCC[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000040738282 174390256 /nfs/dbraw/zinc/39/02/56/174390256.db2.gz FPQZOJKXDIFHRV-UHFFFAOYSA-N 1 0 297.442 4.854 50 0 CJAARO Cc1ccccc1COc1cccc(C[NH2+]CCC(C)C)c1 ZINC000040738371 174390133 /nfs/dbraw/zinc/39/01/33/174390133.db2.gz VCCFPPCHJDSVBG-UHFFFAOYSA-N 1 0 297.442 4.710 50 0 CJAARO CCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000040738373 174390027 /nfs/dbraw/zinc/39/00/27/174390027.db2.gz BFWLDBMPXYXUKG-UHFFFAOYSA-N 1 0 297.442 4.852 50 0 CJAARO C[NH2+]Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000040867065 567882431 /nfs/dbraw/zinc/88/24/31/567882431.db2.gz VUKSTBYHKMJOPK-UHFFFAOYSA-N 1 0 282.170 4.505 50 0 CJAARO COc1cccc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000041055072 570360642 /nfs/dbraw/zinc/36/06/42/570360642.db2.gz HQGLYOXXMBFTMF-UHFFFAOYSA-N 1 0 284.746 4.640 50 0 CJAARO CC[C@@H](C)c1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042770797 567891512 /nfs/dbraw/zinc/89/15/12/567891512.db2.gz DQINBQUOHIYMPT-CYBMUJFWSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@H](C)c1ccc(OCCC2CC[NH2+]CC2)c(Cl)c1 ZINC000042770801 567891732 /nfs/dbraw/zinc/89/17/32/567891732.db2.gz DQINBQUOHIYMPT-ZDUSSCGKSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@@H](C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770804 567891706 /nfs/dbraw/zinc/89/17/06/567891706.db2.gz YECXNLZIGVZHHY-KGLIPLIRSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@H](C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770808 567891703 /nfs/dbraw/zinc/89/17/03/567891703.db2.gz YECXNLZIGVZHHY-KBPBESRZSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@@H](C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770812 567891640 /nfs/dbraw/zinc/89/16/40/567891640.db2.gz YECXNLZIGVZHHY-ZIAGYGMSSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@H](C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000042770816 567891513 /nfs/dbraw/zinc/89/15/13/567891513.db2.gz YECXNLZIGVZHHY-UONOGXRCSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@@H](C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770820 567891622 /nfs/dbraw/zinc/89/16/22/567891622.db2.gz PVSJATPAESKERT-HIFRSBDPSA-N 1 0 295.854 4.765 50 0 CJAARO CC[C@H](C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770823 567891735 /nfs/dbraw/zinc/89/17/35/567891735.db2.gz PVSJATPAESKERT-ZFWWWQNUSA-N 1 0 295.854 4.765 50 0 CJAARO CC[C@@H](C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770827 174871164 /nfs/dbraw/zinc/87/11/64/174871164.db2.gz PVSJATPAESKERT-UKRRQHHQSA-N 1 0 295.854 4.765 50 0 CJAARO CC[C@H](C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042770831 174870922 /nfs/dbraw/zinc/87/09/22/174870922.db2.gz PVSJATPAESKERT-DZGCQCFKSA-N 1 0 295.854 4.765 50 0 CJAARO CC(C)(C)c1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042771041 174871030 /nfs/dbraw/zinc/87/10/30/174871030.db2.gz KKOSSLOUJMFXTP-AWEZNQCLSA-N 1 0 295.854 4.549 50 0 CJAARO CC(C)(C)c1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042771045 174871083 /nfs/dbraw/zinc/87/10/83/174871083.db2.gz KKOSSLOUJMFXTP-CQSZACIVSA-N 1 0 295.854 4.549 50 0 CJAARO CC(C)(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042771068 567891750 /nfs/dbraw/zinc/89/17/50/567891750.db2.gz XGQMYCQWWGZLGT-AWEZNQCLSA-N 1 0 295.854 4.549 50 0 CJAARO CC(C)(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000042771072 567891562 /nfs/dbraw/zinc/89/15/62/567891562.db2.gz XGQMYCQWWGZLGT-CQSZACIVSA-N 1 0 295.854 4.549 50 0 CJAARO CC[C@@H](C)c1cc(Cl)ccc1OCCC1CC[NH2+]CC1 ZINC000042771082 174870858 /nfs/dbraw/zinc/87/08/58/174870858.db2.gz ODBXNEREXZMIAF-CYBMUJFWSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@H](C)c1cc(Cl)ccc1OCCC1CC[NH2+]CC1 ZINC000042771086 174871022 /nfs/dbraw/zinc/87/10/22/174871022.db2.gz ODBXNEREXZMIAF-ZDUSSCGKSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@@H](C)c1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042771090 567891532 /nfs/dbraw/zinc/89/15/32/567891532.db2.gz QDFBVCVYNMYNDY-KGLIPLIRSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@H](C)c1cc(Cl)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042771094 174871179 /nfs/dbraw/zinc/87/11/79/174871179.db2.gz QDFBVCVYNMYNDY-KBPBESRZSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@@H](C)c1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042771098 567891677 /nfs/dbraw/zinc/89/16/77/567891677.db2.gz QDFBVCVYNMYNDY-ZIAGYGMSSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@H](C)c1cc(Cl)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042771101 174871142 /nfs/dbraw/zinc/87/11/42/174871142.db2.gz QDFBVCVYNMYNDY-UONOGXRCSA-N 1 0 295.854 4.622 50 0 CJAARO CC[C@@H](C)c1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042771105 174871217 /nfs/dbraw/zinc/87/12/17/174871217.db2.gz ZVZXJNHMODAXGT-HIFRSBDPSA-N 1 0 295.854 4.765 50 0 CJAARO CC[C@H](C)c1cc(Cl)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042771109 567891605 /nfs/dbraw/zinc/89/16/05/567891605.db2.gz ZVZXJNHMODAXGT-ZFWWWQNUSA-N 1 0 295.854 4.765 50 0 CJAARO CC[C@@H](C)c1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042771113 567891753 /nfs/dbraw/zinc/89/17/53/567891753.db2.gz ZVZXJNHMODAXGT-UKRRQHHQSA-N 1 0 295.854 4.765 50 0 CJAARO CC[C@H](C)c1cc(Cl)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042771116 567891541 /nfs/dbraw/zinc/89/15/41/567891541.db2.gz ZVZXJNHMODAXGT-DZGCQCFKSA-N 1 0 295.854 4.765 50 0 CJAARO CC(C)(C)CC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782866 567891892 /nfs/dbraw/zinc/89/18/92/567891892.db2.gz IVRZLULHTVIYHD-QGZVFWFLSA-N 1 0 289.463 4.531 50 0 CJAARO CC(C)(C)CC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000042782867 567892032 /nfs/dbraw/zinc/89/20/32/567892032.db2.gz IVRZLULHTVIYHD-KRWDZBQOSA-N 1 0 289.463 4.531 50 0 CJAARO Cc1cc(C)cc(C(c2cc(C)cc(C)c2)[C@@H]2CCC[NH2+]2)c1 ZINC000043763898 175105249 /nfs/dbraw/zinc/10/52/49/175105249.db2.gz PHKHWUVAUXBNPC-FQEVSTJZSA-N 1 0 293.454 4.804 50 0 CJAARO Cc1cc(C)cc(C(c2cc(C)cc(C)c2)[C@H]2CCC[NH2+]2)c1 ZINC000043763907 175105388 /nfs/dbraw/zinc/10/53/88/175105388.db2.gz PHKHWUVAUXBNPC-HXUWFJFHSA-N 1 0 293.454 4.804 50 0 CJAARO OCCCCCCCCCCCC[NH2+]Cc1ccccc1 ZINC000044075831 175140737 /nfs/dbraw/zinc/14/07/37/175140737.db2.gz NHJKHPPLADLFHH-UHFFFAOYSA-N 1 0 291.479 4.670 50 0 CJAARO CC(C)c1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000044346453 175165347 /nfs/dbraw/zinc/16/53/47/175165347.db2.gz VGIJMAOXKCAXAB-KDOFPFPSSA-N 1 0 283.415 4.816 50 0 CJAARO CC(C)c1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000044346457 175165600 /nfs/dbraw/zinc/16/56/00/175165600.db2.gz VGIJMAOXKCAXAB-KSSFIOAISA-N 1 0 283.415 4.816 50 0 CJAARO CC(C)c1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1 ZINC000044346460 175165264 /nfs/dbraw/zinc/16/52/64/175165264.db2.gz VGIJMAOXKCAXAB-RDTXWAMCSA-N 1 0 283.415 4.816 50 0 CJAARO CC(C)c1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1 ZINC000044346464 175165493 /nfs/dbraw/zinc/16/54/93/175165493.db2.gz VGIJMAOXKCAXAB-KBXCAEBGSA-N 1 0 283.415 4.816 50 0 CJAARO c1n(C2CCCCC2)c2ccccc2[n+]1C1CCCCC1 ZINC000044583784 175210850 /nfs/dbraw/zinc/21/08/50/175210850.db2.gz LKCQZUYRWKQRDY-UHFFFAOYSA-N 1 0 283.439 4.939 50 0 CJAARO Cc1cccc2c[n+](-c3c(C(C)C)cccc3C(C)C)cn21 ZINC000045074640 570236294 /nfs/dbraw/zinc/23/62/94/570236294.db2.gz IAZDBMHWYCUELA-UHFFFAOYSA-N 1 0 293.434 4.771 50 0 CJAARO CC(C)n1cc(C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000045945081 175387390 /nfs/dbraw/zinc/38/73/90/175387390.db2.gz MFQTXXHNMMCYND-UHFFFAOYSA-N 1 0 278.399 4.512 50 0 CJAARO CC(C)n1cc(C[NH2+]C2CCCCC2)c2ccccc21 ZINC000045945084 175387189 /nfs/dbraw/zinc/38/71/89/175387189.db2.gz HLSYWLFPIRFEDA-UHFFFAOYSA-N 1 0 270.420 4.645 50 0 CJAARO CC(C)n1cc(C[NH2+]Cc2cccs2)c2ccccc21 ZINC000045945112 175387814 /nfs/dbraw/zinc/38/78/14/175387814.db2.gz PVIOEESEFUGZSS-UHFFFAOYSA-N 1 0 284.428 4.574 50 0 CJAARO CCCCC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945126 175387982 /nfs/dbraw/zinc/38/79/82/175387982.db2.gz RSRZKBRMWFQVRW-UHFFFAOYSA-N 1 0 258.409 4.502 50 0 CJAARO CCCCCC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945129 175387749 /nfs/dbraw/zinc/38/77/49/175387749.db2.gz HKEJNJHEFIAWLI-UHFFFAOYSA-N 1 0 272.436 4.892 50 0 CJAARO CCC(C)(C)[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945165 175387817 /nfs/dbraw/zinc/38/78/17/175387817.db2.gz ZNOZLQIDXBAAEP-UHFFFAOYSA-N 1 0 258.409 4.500 50 0 CJAARO CCCCCC[NH2+]Cc1cn(CCC)c2ccccc12 ZINC000045945226 175388203 /nfs/dbraw/zinc/38/82/03/175388203.db2.gz UIUSZOQQOZRIGK-UHFFFAOYSA-N 1 0 272.436 4.721 50 0 CJAARO CCCn1cc(C[NH2+]C2CCCCCC2)c2ccccc21 ZINC000045945243 175387886 /nfs/dbraw/zinc/38/78/86/175387886.db2.gz IAMNHZAJBBUEGV-UHFFFAOYSA-N 1 0 284.447 4.864 50 0 CJAARO c1cc(CC[NH2+]Cc2cc(-c3ccccc3)cs2)cs1 ZINC000048400292 570298378 /nfs/dbraw/zinc/29/83/78/570298378.db2.gz UJXCTXWOQUDSSI-UHFFFAOYSA-N 1 0 299.464 4.809 50 0 CJAARO Cc1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)s1 ZINC000050225150 567925536 /nfs/dbraw/zinc/92/55/36/567925536.db2.gz YKUTVGFQRPCAQD-QGZVFWFLSA-N 1 0 271.429 4.614 50 0 CJAARO Cc1ccc(C[NH2+][C@H]2CCCCc3ccccc32)s1 ZINC000050225151 567925401 /nfs/dbraw/zinc/92/54/01/567925401.db2.gz YKUTVGFQRPCAQD-KRWDZBQOSA-N 1 0 271.429 4.614 50 0 CJAARO c1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000055387822 570243316 /nfs/dbraw/zinc/24/33/16/570243316.db2.gz MXHTZQSKTCCMFG-UHFFFAOYSA-N 1 0 287.406 4.889 50 0 CJAARO c1csc(C[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000055422437 567894359 /nfs/dbraw/zinc/89/43/59/567894359.db2.gz KXGUJBOADZGXCF-UHFFFAOYSA-N 1 0 279.408 4.627 50 0 CJAARO FC(F)(F)c1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000057274468 567895079 /nfs/dbraw/zinc/89/50/79/567895079.db2.gz RHNLJTJWJPOEJM-UHFFFAOYSA-N 1 0 299.723 4.649 50 0 CJAARO CC(C)(C)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000057353068 175593999 /nfs/dbraw/zinc/59/39/99/175593999.db2.gz QWTPMCIPQJVCHU-UHFFFAOYSA-N 1 0 292.426 4.578 50 0 CJAARO CCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000057353071 567895184 /nfs/dbraw/zinc/89/51/84/567895184.db2.gz FPPYHUTZTXVSEZ-UHFFFAOYSA-N 1 0 292.426 4.579 50 0 CJAARO CC[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000057353082 567895064 /nfs/dbraw/zinc/89/50/64/567895064.db2.gz NYFZEIICIUOYRW-MRXNPFEDSA-N 1 0 292.426 4.578 50 0 CJAARO CC[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000057353084 567894897 /nfs/dbraw/zinc/89/48/97/567894897.db2.gz NYFZEIICIUOYRW-INIZCTEOSA-N 1 0 292.426 4.578 50 0 CJAARO CCC[C@H]([NH2+]Cc1cn(C)c2ccccc12)c1ccccc1 ZINC000057353190 567895070 /nfs/dbraw/zinc/89/50/70/567895070.db2.gz OTOFJPZJNYJTMA-IBGZPJMESA-N 1 0 292.426 4.809 50 0 CJAARO CCC[C@@H]([NH2+]Cc1cn(C)c2ccccc12)c1ccccc1 ZINC000057353191 567894794 /nfs/dbraw/zinc/89/47/94/567894794.db2.gz OTOFJPZJNYJTMA-LJQANCHMSA-N 1 0 292.426 4.809 50 0 CJAARO CC(C)n1cc(C[NH2+]CCc2ccccc2)c2ccccc21 ZINC000057353250 567895057 /nfs/dbraw/zinc/89/50/57/567895057.db2.gz ULVINLUDRNPEEG-UHFFFAOYSA-N 1 0 292.426 4.555 50 0 CJAARO CC(C)n1cc(C[NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000057353252 567894991 /nfs/dbraw/zinc/89/49/91/567894991.db2.gz IRHOHBPURPKTMX-UHFFFAOYSA-N 1 0 296.389 4.651 50 0 CJAARO Cc1ccc(C[NH2+]Cc2cn(C(C)C)c3ccccc23)cc1 ZINC000057353257 567895089 /nfs/dbraw/zinc/89/50/89/567895089.db2.gz LLNSOAVONGEXPM-UHFFFAOYSA-N 1 0 292.426 4.820 50 0 CJAARO CCCn1cc(C[NH2+][C@@H](C)c2ccccc2)c2ccccc21 ZINC000057353284 567895118 /nfs/dbraw/zinc/89/51/18/567895118.db2.gz VGODPXVMDRMXLI-INIZCTEOSA-N 1 0 292.426 4.902 50 0 CJAARO CCCn1cc(C[NH2+][C@H](C)c2ccccc2)c2ccccc21 ZINC000057353286 567894913 /nfs/dbraw/zinc/89/49/13/567894913.db2.gz VGODPXVMDRMXLI-MRXNPFEDSA-N 1 0 292.426 4.902 50 0 CJAARO CCCn1cc(C[NH2+]Cc2ccc(C)cc2)c2ccccc21 ZINC000057353292 567895110 /nfs/dbraw/zinc/89/51/10/567895110.db2.gz GBKUGYVQRKKIKJ-UHFFFAOYSA-N 1 0 292.426 4.650 50 0 CJAARO c1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cc1 ZINC000057981348 567894972 /nfs/dbraw/zinc/89/49/72/567894972.db2.gz BGHWDSROEMDECK-INIZCTEOSA-N 1 0 294.423 4.633 50 0 CJAARO c1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3s2)cc1 ZINC000057981354 567894916 /nfs/dbraw/zinc/89/49/16/567894916.db2.gz BGHWDSROEMDECK-MRXNPFEDSA-N 1 0 294.423 4.633 50 0 CJAARO CC(C)c1ccc(C[N@H+](C/C=C/Cl)C2CC2)cc1 ZINC000058470061 567895791 /nfs/dbraw/zinc/89/57/91/567895791.db2.gz HQJJLIRQWBNWBE-XCVCLJGOSA-N 1 0 263.812 4.527 50 0 CJAARO c1c(C[NH2+]Cc2ccc3ccccc3c2)[nH]c2ccccc12 ZINC000058474231 567895925 /nfs/dbraw/zinc/89/59/25/567895925.db2.gz DHXXGPBKAXHHLQ-UHFFFAOYSA-N 1 0 286.378 4.611 50 0 CJAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581699 567895782 /nfs/dbraw/zinc/89/57/82/567895782.db2.gz XAHNDOVCAUKUOA-AUNFYEFLSA-N 1 0 269.413 4.598 50 0 CJAARO C[N@H+](Cn1c2ccccc2sc1=S)C1CCCCC1 ZINC000058583871 570400107 /nfs/dbraw/zinc/40/01/07/570400107.db2.gz VYEXMEFIROBGRM-UHFFFAOYSA-N 1 0 292.473 4.654 50 0 CJAARO CC[N@H+](Cc1nc2ccccc2s1)Cc1ccccc1C ZINC000058790197 566845693 /nfs/dbraw/zinc/84/56/93/566845693.db2.gz WLMZFRDRAJYDOJ-UHFFFAOYSA-N 1 0 296.439 4.627 50 0 CJAARO CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000059403265 567896316 /nfs/dbraw/zinc/89/63/16/567896316.db2.gz OBASZRNAXGXBFF-CYBMUJFWSA-N 1 0 288.822 4.510 50 0 CJAARO CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000059403266 567896245 /nfs/dbraw/zinc/89/62/45/567896245.db2.gz OBASZRNAXGXBFF-ZDUSSCGKSA-N 1 0 288.822 4.510 50 0 CJAARO CC(C)(C)[NH2+]CCCC(c1ccccc1)c1ccccc1 ZINC000059880950 567896735 /nfs/dbraw/zinc/89/67/35/567896735.db2.gz NSTSGBQUBLGFCK-UHFFFAOYSA-N 1 0 281.443 4.987 50 0 CJAARO C[C@H]1C[NH+](C2CCCCCCCCCCC2)C[C@H](C)O1 ZINC000059967554 567896793 /nfs/dbraw/zinc/89/67/93/567896793.db2.gz JMXKCYUTURMERF-IRXDYDNUSA-N 1 0 281.484 4.769 50 0 in-vitro CJAARO C[C@@H]1C[NH+](C2CCCCCCCCCCC2)C[C@@H](C)O1 ZINC000059967558 567896777 /nfs/dbraw/zinc/89/67/77/567896777.db2.gz JMXKCYUTURMERF-IAGOWNOFSA-N 1 0 281.484 4.769 50 0 in-vitro CJAARO c1ccc(Nc2cc[nH+]cc2Oc2ccccc2)cc1 ZINC000060293814 567896698 /nfs/dbraw/zinc/89/66/98/567896698.db2.gz JYZUKJACRQUZEM-UHFFFAOYSA-N 1 0 262.312 4.618 50 0 CJAARO FC(F)(F)c1ccccc1C[N@H+](C1CC1)C1CCCC1 ZINC000060562842 567902096 /nfs/dbraw/zinc/90/20/96/567902096.db2.gz MNXQBFKCDRKNPI-UHFFFAOYSA-N 1 0 283.337 4.612 50 0 CJAARO c1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)cc2)cc1 ZINC000060806320 567907886 /nfs/dbraw/zinc/90/78/86/567907886.db2.gz JMEVSDHIPUYIAL-UHFFFAOYSA-N 1 0 289.378 4.769 50 0 CJAARO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c(C)c1 ZINC000064984433 570243624 /nfs/dbraw/zinc/24/36/24/570243624.db2.gz OWFUSBPFQKMIHR-SFHVURJKSA-N 1 0 298.430 4.752 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984495 570243611 /nfs/dbraw/zinc/24/36/11/570243611.db2.gz AFFYDMZOBZEFTB-GOSISDBHSA-N 1 0 298.430 4.698 50 0 CJAARO CCc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984497 570243705 /nfs/dbraw/zinc/24/37/05/570243705.db2.gz AFFYDMZOBZEFTB-SFHVURJKSA-N 1 0 298.430 4.698 50 0 CJAARO C[C@@H](c1cccc(-c2ccc3ncccc3c2)c1)[NH+](C)C ZINC000065370362 567898427 /nfs/dbraw/zinc/89/84/27/567898427.db2.gz MQDIAUWQUSOLEL-AWEZNQCLSA-N 1 0 276.383 4.524 50 0 CJAARO C[C@H](c1cccc(-c2ccc3ncccc3c2)c1)[NH+](C)C ZINC000065370363 567898747 /nfs/dbraw/zinc/89/87/47/567898747.db2.gz MQDIAUWQUSOLEL-CQSZACIVSA-N 1 0 276.383 4.524 50 0 CJAARO C[C@@H](c1cccc(-c2nccc3ccccc32)c1)[NH+](C)C ZINC000065381519 175724981 /nfs/dbraw/zinc/72/49/81/175724981.db2.gz WSGHZBLQKXQUCR-AWEZNQCLSA-N 1 0 276.383 4.524 50 0 CJAARO C[C@H](c1cccc(-c2nccc3ccccc32)c1)[NH+](C)C ZINC000065381520 567898481 /nfs/dbraw/zinc/89/84/81/567898481.db2.gz WSGHZBLQKXQUCR-CQSZACIVSA-N 1 0 276.383 4.524 50 0 CJAARO CCC[N@@H+](Cc1c(Cl)ccc2cccnc21)CC1CC1 ZINC000065431157 567007544 /nfs/dbraw/zinc/00/75/44/567007544.db2.gz RRMVAFQVQHDMMS-UHFFFAOYSA-N 1 0 288.822 4.510 50 0 CJAARO C[C@@H](c1ccc(-c2cnc3ccccc3c2)cc1)[NH+](C)C ZINC000065492842 175742982 /nfs/dbraw/zinc/74/29/82/175742982.db2.gz CUJQAIZPGADSKF-AWEZNQCLSA-N 1 0 276.383 4.524 50 0 CJAARO C[C@H](c1ccc(-c2cnc3ccccc3c2)cc1)[NH+](C)C ZINC000065492844 567899621 /nfs/dbraw/zinc/89/96/21/567899621.db2.gz CUJQAIZPGADSKF-CQSZACIVSA-N 1 0 276.383 4.524 50 0 CJAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000065609297 570362514 /nfs/dbraw/zinc/36/25/14/570362514.db2.gz XAHNDOVCAUKUOA-IOMDMTNGSA-N 1 0 269.413 4.598 50 0 CJAARO C[NH+](Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 ZINC000066322761 567899795 /nfs/dbraw/zinc/89/97/95/567899795.db2.gz AXTDLSCKJFTPJW-UHFFFAOYSA-N 1 0 280.198 4.625 50 0 CJAARO C[C@@H](c1cccc(-c2c(O)ccc3ccccc32)c1)[NH+](C)C ZINC000067725262 175787580 /nfs/dbraw/zinc/78/75/80/175787580.db2.gz MVZYJYLILFUUOK-AWEZNQCLSA-N 1 0 291.394 4.835 50 0 CJAARO C[C@H](c1cccc(-c2c(O)ccc3ccccc32)c1)[NH+](C)C ZINC000067725266 567900273 /nfs/dbraw/zinc/90/02/73/567900273.db2.gz MVZYJYLILFUUOK-CQSZACIVSA-N 1 0 291.394 4.835 50 0 CJAARO CC[C@H]([NH2+]C)c1ccc(-c2cccc3ncccc32)cc1 ZINC000067818860 175794698 /nfs/dbraw/zinc/79/46/98/175794698.db2.gz SKKSTIMRDLQCFO-SFHVURJKSA-N 1 0 276.383 4.572 50 0 CJAARO CC[C@@H]([NH2+]C)c1ccc(-c2cccc3ncccc32)cc1 ZINC000067818862 175794815 /nfs/dbraw/zinc/79/48/15/175794815.db2.gz SKKSTIMRDLQCFO-GOSISDBHSA-N 1 0 276.383 4.572 50 0 CJAARO CCC/C(=C\n1ccnc1)c1ccc(Cl)cc1Cl ZINC000068728515 570401480 /nfs/dbraw/zinc/40/14/80/570401480.db2.gz VOCGAWHHDPBQGI-PKNBQFBNSA-N 1 0 281.186 4.988 50 0 CJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cccc2ccccc21 ZINC000071771283 176262369 /nfs/dbraw/zinc/26/23/69/176262369.db2.gz GTGYTXLFDPHOCE-IYBDPMFKSA-N 1 0 282.431 4.515 50 0 CJAARO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cccc2ccccc21 ZINC000071771285 176262445 /nfs/dbraw/zinc/26/24/45/176262445.db2.gz GTGYTXLFDPHOCE-HOTGVXAUSA-N 1 0 282.431 4.515 50 0 CJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cccc2ccccc21 ZINC000071771287 176262509 /nfs/dbraw/zinc/26/25/09/176262509.db2.gz GTGYTXLFDPHOCE-HZPDHXFCSA-N 1 0 282.431 4.515 50 0 CJAARO CC(C)C[N@@H+]1CC[C@H](C(c2ccccc2)c2ccccc2)C1 ZINC000071772293 567902077 /nfs/dbraw/zinc/90/20/77/567902077.db2.gz YYUHTHCEPRXXST-FQEVSTJZSA-N 1 0 293.454 4.796 50 0 CJAARO CC(C)C[N@@H+]1CC[C@@H](C(c2ccccc2)c2ccccc2)C1 ZINC000071772295 567902009 /nfs/dbraw/zinc/90/20/09/567902009.db2.gz YYUHTHCEPRXXST-HXUWFJFHSA-N 1 0 293.454 4.796 50 0 CJAARO CC[NH+](CC)CC/C(=C/c1ccccc1)c1ccccc1 ZINC000071772899 567902114 /nfs/dbraw/zinc/90/21/14/567902114.db2.gz BSGUEYGCKLBYKQ-JZJYNLBNSA-N 1 0 279.427 4.959 50 0 CJAARO C(=C/c1ccccc1)\C[N@H+](Cc1ccco1)C1CCCC1 ZINC000071811001 176267966 /nfs/dbraw/zinc/26/79/66/176267966.db2.gz UDZDPAGPNXRWKF-UXBLZVDNSA-N 1 0 281.399 4.738 50 0 CJAARO CSc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000072143747 176324500 /nfs/dbraw/zinc/32/45/00/176324500.db2.gz IKTARJPZZSRYSF-GOSISDBHSA-N 1 0 298.455 4.531 50 0 CJAARO CSc1cccc(C[N@@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000072143749 176323956 /nfs/dbraw/zinc/32/39/56/176323956.db2.gz IKTARJPZZSRYSF-SFHVURJKSA-N 1 0 298.455 4.531 50 0 CJAARO c1ccc(CCCC2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000072194242 176337194 /nfs/dbraw/zinc/33/71/94/176337194.db2.gz RJKHELOCNIIEFU-UHFFFAOYSA-N 1 0 291.438 4.842 50 0 CJAARO Cc1cc(SCc2nccn2C(C)C)nc2ccccc12 ZINC000072270487 567883247 /nfs/dbraw/zinc/88/32/47/567883247.db2.gz BGKBIWIAWMIYFY-UHFFFAOYSA-N 1 0 297.427 4.613 50 0 CJAARO Cc1nc(C)c(C[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000072296393 176363345 /nfs/dbraw/zinc/36/33/45/176363345.db2.gz UVCHGZKHEUFNIQ-NSHDSACASA-N 1 0 294.851 4.606 50 0 CJAARO Cc1nc(C)c(C[N@@H+](C)[C@H](C)c2ccc(Cl)cc2)s1 ZINC000072296394 176363487 /nfs/dbraw/zinc/36/34/87/176363487.db2.gz UVCHGZKHEUFNIQ-LLVKDONJSA-N 1 0 294.851 4.606 50 0 CJAARO Cc1ccc(Nc2cc(C)[nH+]c3c(C)ccc(N)c23)c(C)c1 ZINC000075284468 566939680 /nfs/dbraw/zinc/93/96/80/566939680.db2.gz FDIVRIZZYHDOOL-UHFFFAOYSA-N 1 0 291.398 4.794 50 0 CJAARO Cc1ccsc1C[NH2+]Cc1csc2ccccc12 ZINC000075675508 570272390 /nfs/dbraw/zinc/27/23/90/570272390.db2.gz NWIKOYURDCSBOR-UHFFFAOYSA-N 1 0 273.426 4.561 50 0 CJAARO C[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000078845813 570272930 /nfs/dbraw/zinc/27/29/30/570272930.db2.gz MFYPEHPDXKRQOI-QGZVFWFLSA-N 1 0 279.427 4.702 50 0 CJAARO CCCC[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000079059109 570395952 /nfs/dbraw/zinc/39/59/52/570395952.db2.gz TVJJWUCZLLWLCB-UHFFFAOYSA-N 1 0 292.810 4.535 50 0 CJAARO CC[N@H+](Cc1sc2ccccc2c1Cl)C1CC1 ZINC000084774819 566887486 /nfs/dbraw/zinc/88/74/86/566887486.db2.gz MURDGSDUBDRQBI-UHFFFAOYSA-N 1 0 265.809 4.539 50 0 CJAARO Clc1ccccc1C[NH+]1CCC(c2cccs2)CC1 ZINC000085473464 179077725 /nfs/dbraw/zinc/07/77/25/179077725.db2.gz HDEDETQBWJAJEZ-UHFFFAOYSA-N 1 0 291.847 4.781 50 0 CJAARO C1CCC([PH+](N2CCCCC2)N2CCCCC2)CC1 ZINC000086012812 567090902 /nfs/dbraw/zinc/09/09/02/567090902.db2.gz ZVEDQWBWJRJTBO-UHFFFAOYSA-N 1 0 282.412 4.603 50 0 CJAARO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)c1ccco1 ZINC000089904934 567030906 /nfs/dbraw/zinc/03/09/06/567030906.db2.gz MOZVILZANQEPJC-GJZGRUSLSA-N 1 0 292.382 4.753 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(-c2ccncc2)cc1 ZINC000089904935 567031023 /nfs/dbraw/zinc/03/10/23/567031023.db2.gz MOZVILZANQEPJC-CABCVRRESA-N 1 0 292.382 4.753 50 0 CJAARO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1)c1ccco1 ZINC000089904936 179881035 /nfs/dbraw/zinc/88/10/35/179881035.db2.gz MOZVILZANQEPJC-LSDHHAIUSA-N 1 0 292.382 4.753 50 0 CJAARO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccncc2)cc1)c1ccco1 ZINC000089904937 567030024 /nfs/dbraw/zinc/03/00/24/567030024.db2.gz MOZVILZANQEPJC-HUUCEWRRSA-N 1 0 292.382 4.753 50 0 CJAARO CC(C)c1ccc([C@@H](C[NH3+])c2c[nH]c3ccc(F)cc32)cc1 ZINC000091690200 260482163 /nfs/dbraw/zinc/48/21/63/260482163.db2.gz INNZMDSXKLUZKL-QGZVFWFLSA-N 1 0 296.389 4.521 50 0 CJAARO CC(C)c1ccc([C@H](C[NH3+])c2c[nH]c3ccc(F)cc32)cc1 ZINC000091690201 570255460 /nfs/dbraw/zinc/25/54/60/570255460.db2.gz INNZMDSXKLUZKL-KRWDZBQOSA-N 1 0 296.389 4.521 50 0 CJAARO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncoc2C(C)C)s1 ZINC000092797052 566970856 /nfs/dbraw/zinc/97/08/56/566970856.db2.gz CFSYFPCABKXPSL-AWEZNQCLSA-N 1 0 290.432 4.505 50 0 CJAARO Cc1ccc([C@H]2CCC[N@H+]2Cc2ncoc2C(C)C)s1 ZINC000092797053 566971829 /nfs/dbraw/zinc/97/18/29/566971829.db2.gz CFSYFPCABKXPSL-CQSZACIVSA-N 1 0 290.432 4.505 50 0 CJAARO c1sc2ccccc2c1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC000095377718 567128057 /nfs/dbraw/zinc/12/80/57/567128057.db2.gz MAOQABKDDRDNDN-UHFFFAOYSA-N 1 0 293.435 4.680 50 0 CJAARO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2Cl)cc1 ZINC000095419217 184975576 /nfs/dbraw/zinc/97/55/76/184975576.db2.gz DWQBRMBUHSSUMF-OLZOCXBDSA-N 1 0 288.822 4.709 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2Cl)cc1 ZINC000095419218 567131361 /nfs/dbraw/zinc/13/13/61/567131361.db2.gz DWQBRMBUHSSUMF-STQMWFEESA-N 1 0 288.822 4.709 50 0 CJAARO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2Cl)cc1 ZINC000095419219 567132473 /nfs/dbraw/zinc/13/24/73/567132473.db2.gz DWQBRMBUHSSUMF-CHWSQXEVSA-N 1 0 288.822 4.709 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2Cl)cc1 ZINC000095419220 567132299 /nfs/dbraw/zinc/13/22/99/567132299.db2.gz DWQBRMBUHSSUMF-QWHCGFSZSA-N 1 0 288.822 4.709 50 0 CJAARO CC[C@H]([NH2+][C@@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423130 567132465 /nfs/dbraw/zinc/13/24/65/567132465.db2.gz KSNCHDGPNYVCMJ-LRDDRELGSA-N 1 0 274.433 4.562 50 0 CJAARO CC[C@@H]([NH2+][C@@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423131 567131136 /nfs/dbraw/zinc/13/11/36/567131136.db2.gz KSNCHDGPNYVCMJ-BLLLJJGKSA-N 1 0 274.433 4.562 50 0 CJAARO CC[C@H]([NH2+][C@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423132 567131318 /nfs/dbraw/zinc/13/13/18/567131318.db2.gz KSNCHDGPNYVCMJ-WBMJQRKESA-N 1 0 274.433 4.562 50 0 CJAARO CC[C@@H]([NH2+][C@H](C)c1cc(C)sc1C)c1ccncc1 ZINC000095423133 567131596 /nfs/dbraw/zinc/13/15/96/567131596.db2.gz KSNCHDGPNYVCMJ-MLGOLLRUSA-N 1 0 274.433 4.562 50 0 CJAARO c1ccc(CC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000095463549 567134712 /nfs/dbraw/zinc/13/47/12/567134712.db2.gz QQAVVWASTIWKIJ-OAQYLSRUSA-N 1 0 291.438 4.629 50 0 CJAARO c1ccc(CC2CC[NH+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000095463550 567134818 /nfs/dbraw/zinc/13/48/18/567134818.db2.gz QQAVVWASTIWKIJ-NRFANRHFSA-N 1 0 291.438 4.629 50 0 CJAARO CC(C)(Cl)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095811157 566877728 /nfs/dbraw/zinc/87/77/28/566877728.db2.gz UVBCCUYENYVTKO-UHFFFAOYSA-N 1 0 287.834 4.706 50 0 CJAARO CCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000095831420 570299921 /nfs/dbraw/zinc/29/99/21/570299921.db2.gz YMRKFCXFMWIJBK-IBGZPJMESA-N 1 0 267.416 4.750 50 0 CJAARO CCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000095831421 570299954 /nfs/dbraw/zinc/29/99/54/570299954.db2.gz YMRKFCXFMWIJBK-LJQANCHMSA-N 1 0 267.416 4.750 50 0 CJAARO CC[NH+](CC)CCSC(c1ccccc1)c1ccccc1 ZINC000095863883 567135767 /nfs/dbraw/zinc/13/57/67/567135767.db2.gz NROCGGYTDWHUIY-UHFFFAOYSA-N 1 0 299.483 4.851 50 0 CJAARO Clc1cccc(Cl)c1SCC[C@@H]1CCCC[NH2+]1 ZINC000095908623 567909783 /nfs/dbraw/zinc/90/97/83/567909783.db2.gz IOFRYYBJHCPYQO-JTQLQIEISA-N 1 0 290.259 4.618 50 0 CJAARO Clc1cccc(Cl)c1SCC[C@H]1CCCC[NH2+]1 ZINC000095908624 256881469 /nfs/dbraw/zinc/88/14/69/256881469.db2.gz IOFRYYBJHCPYQO-SNVBAGLBSA-N 1 0 290.259 4.618 50 0 CJAARO C[C@@H]1C[N@H+](C2CCCCCCCCCCC2)C[C@H](C)O1 ZINC000095944423 185037157 /nfs/dbraw/zinc/03/71/57/185037157.db2.gz JMXKCYUTURMERF-CALCHBBNSA-N 1 0 281.484 4.769 50 0 in-vitro CJAARO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000095967105 185046386 /nfs/dbraw/zinc/04/63/86/185046386.db2.gz CKAZVVDOYJPHCK-FZKQIMNGSA-N 1 0 299.389 4.563 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(F)cccc32)cc1 ZINC000095967106 185046902 /nfs/dbraw/zinc/04/69/02/185046902.db2.gz CKAZVVDOYJPHCK-SCLBCKFNSA-N 1 0 299.389 4.563 50 0 CJAARO CCc1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000095967107 185046675 /nfs/dbraw/zinc/04/66/75/185046675.db2.gz CKAZVVDOYJPHCK-ACJLOTCBSA-N 1 0 299.389 4.563 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@H]2CCOc3c(F)cccc32)cc1 ZINC000095967108 185046758 /nfs/dbraw/zinc/04/67/58/185046758.db2.gz CKAZVVDOYJPHCK-UGSOOPFHSA-N 1 0 299.389 4.563 50 0 CJAARO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968429 185046861 /nfs/dbraw/zinc/04/68/61/185046861.db2.gz XFXVLBCNKBTISY-JQWIXIFHSA-N 1 0 280.824 4.598 50 0 CJAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968430 185046348 /nfs/dbraw/zinc/04/63/48/185046348.db2.gz XFXVLBCNKBTISY-CMPLNLGQSA-N 1 0 280.824 4.598 50 0 CJAARO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968431 185046216 /nfs/dbraw/zinc/04/62/16/185046216.db2.gz XFXVLBCNKBTISY-PWSUYJOCSA-N 1 0 280.824 4.598 50 0 CJAARO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1ccncc1 ZINC000095968432 185046405 /nfs/dbraw/zinc/04/64/05/185046405.db2.gz XFXVLBCNKBTISY-ZYHUDNBSSA-N 1 0 280.824 4.598 50 0 CJAARO C[N@H+](Cc1nc2ccccc2s1)C1CCCCCCC1 ZINC000095988589 567136467 /nfs/dbraw/zinc/13/64/67/567136467.db2.gz ATBKKJSELPGSTJ-UHFFFAOYSA-N 1 0 288.460 4.841 50 0 CJAARO C[C@H]([NH2+]C1(c2ccccc2)CCCCC1)c1ccccn1 ZINC000095991401 185058363 /nfs/dbraw/zinc/05/83/63/185058363.db2.gz AYEITERAFBKRHW-INIZCTEOSA-N 1 0 280.415 4.592 50 0 CJAARO C[C@@H]([NH2+]C1(c2ccccc2)CCCCC1)c1ccccn1 ZINC000095991402 185058341 /nfs/dbraw/zinc/05/83/41/185058341.db2.gz AYEITERAFBKRHW-MRXNPFEDSA-N 1 0 280.415 4.592 50 0 CJAARO c1ccc([C@@H]2CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)cc1 ZINC000096001691 185062397 /nfs/dbraw/zinc/06/23/97/185062397.db2.gz BPVNAUFRHXKHOH-UYAOXDASSA-N 1 0 277.411 4.554 50 0 CJAARO c1ccc([C@H]2CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)cc1 ZINC000096001692 185061776 /nfs/dbraw/zinc/06/17/76/185061776.db2.gz BPVNAUFRHXKHOH-AZUAARDMSA-N 1 0 277.411 4.554 50 0 CJAARO c1ccc(C(SCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000096026416 567136538 /nfs/dbraw/zinc/13/65/38/567136538.db2.gz KCUCUXUIGULKNG-UHFFFAOYSA-N 1 0 297.467 4.605 50 0 CJAARO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCCC1 ZINC000096026503 567136679 /nfs/dbraw/zinc/13/66/79/567136679.db2.gz OALRHBMGKXVTAC-KRWDZBQOSA-N 1 0 279.427 4.693 50 0 CJAARO C[C@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCCC1 ZINC000096026504 567136661 /nfs/dbraw/zinc/13/66/61/567136661.db2.gz OALRHBMGKXVTAC-QGZVFWFLSA-N 1 0 279.427 4.693 50 0 CJAARO CC1(C)C[NH+](Cc2ccc(Cl)cc2Cl)CC1(C)C ZINC000096026601 567139320 /nfs/dbraw/zinc/13/93/20/567139320.db2.gz NNFOONWWIXXOCM-UHFFFAOYSA-N 1 0 286.246 4.861 50 0 CJAARO CC1(C)C[NH+](Cc2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000096026602 567139194 /nfs/dbraw/zinc/13/91/94/567139194.db2.gz XWNQVFDKWNDBCV-UHFFFAOYSA-N 1 0 286.246 4.861 50 0 CJAARO Cc1csc(C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000096026676 567138692 /nfs/dbraw/zinc/13/86/92/567138692.db2.gz XIRFVBKHBMXPGX-UHFFFAOYSA-N 1 0 263.450 4.702 50 0 CJAARO CC[NH+](CC)CCCOC1(c2ccccc2)CCCCC1 ZINC000096026690 567139371 /nfs/dbraw/zinc/13/93/71/567139371.db2.gz ZPDNWIWSKRHBFP-UHFFFAOYSA-N 1 0 289.463 4.595 50 0 CJAARO C[NH+](C)Cc1ccccc1Nc1cccc(Cl)c1Cl ZINC000096026894 567138387 /nfs/dbraw/zinc/13/83/87/567138387.db2.gz KLWNYVNLAVIELX-UHFFFAOYSA-N 1 0 295.213 4.799 50 0 CJAARO [NH3+]C[C@H](CCCCCCOc1ccccc1)c1ccccc1 ZINC000096027187 567139188 /nfs/dbraw/zinc/13/91/88/567139188.db2.gz PBWRBABAVDNRNZ-IBGZPJMESA-N 1 0 297.442 4.758 50 0 CJAARO [NH3+]C[C@@H](CCCCCCOc1ccccc1)c1ccccc1 ZINC000096027188 567139494 /nfs/dbraw/zinc/13/94/94/567139494.db2.gz PBWRBABAVDNRNZ-LJQANCHMSA-N 1 0 297.442 4.758 50 0 CJAARO CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](c2cccc(C)c2)C1 ZINC000096027626 567138867 /nfs/dbraw/zinc/13/88/67/567138867.db2.gz QYTDPEDVPXCAKK-UXHICEINSA-N 1 0 279.427 4.588 50 0 CJAARO CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](c2cccc(C)c2)C1 ZINC000096027627 567138757 /nfs/dbraw/zinc/13/87/57/567138757.db2.gz QYTDPEDVPXCAKK-PMACEKPBSA-N 1 0 279.427 4.588 50 0 CJAARO CC[NH+](CC)CC[C@@H](c1cccs1)[C@H]1C=CCC1 ZINC000096027987 567138455 /nfs/dbraw/zinc/13/84/55/567138455.db2.gz FWDFLWJIAWLDJV-LSDHHAIUSA-N 1 0 263.450 4.530 50 0 CJAARO CC[NH+](CC)CC[C@H](c1cccs1)[C@H]1C=CCC1 ZINC000096027988 567138838 /nfs/dbraw/zinc/13/88/38/567138838.db2.gz FWDFLWJIAWLDJV-GJZGRUSLSA-N 1 0 263.450 4.530 50 0 CJAARO CC[NH+](CC)CC[C@@H](c1cccs1)[C@@H]1C=CCC1 ZINC000096027989 567138083 /nfs/dbraw/zinc/13/80/83/567138083.db2.gz FWDFLWJIAWLDJV-HUUCEWRRSA-N 1 0 263.450 4.530 50 0 CJAARO CC[NH+](CC)CC[C@H](c1cccs1)[C@@H]1C=CCC1 ZINC000096027990 567139342 /nfs/dbraw/zinc/13/93/42/567139342.db2.gz FWDFLWJIAWLDJV-CABCVRRESA-N 1 0 263.450 4.530 50 0 CJAARO C[NH+]1CCC(CC=C(c2ccccc2)c2ccccc2)CC1 ZINC000096028119 567139539 /nfs/dbraw/zinc/13/95/39/567139539.db2.gz LSCCSDZQQWGYMZ-UHFFFAOYSA-N 1 0 291.438 4.850 50 0 CJAARO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000096166212 567138465 /nfs/dbraw/zinc/13/84/65/567138465.db2.gz XAHNDOVCAUKUOA-RLXIPRIJSA-N 1 0 269.413 4.598 50 0 CJAARO CCc1ccc([C@@H](C)[NH2+][C@@H](CC)c2ccncc2)s1 ZINC000097017091 529707083 /nfs/dbraw/zinc/70/70/83/529707083.db2.gz OJHGVVULSKYDNG-DOMZBBRYSA-N 1 0 274.433 4.507 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@@H](CC)c2ccncc2)s1 ZINC000097017093 529722031 /nfs/dbraw/zinc/72/20/31/529722031.db2.gz OJHGVVULSKYDNG-WFASDCNBSA-N 1 0 274.433 4.507 50 0 CJAARO CCc1ccc([C@@H](C)[NH2+][C@H](CC)c2ccncc2)s1 ZINC000097017094 529707702 /nfs/dbraw/zinc/70/77/02/529707702.db2.gz OJHGVVULSKYDNG-IUODEOHRSA-N 1 0 274.433 4.507 50 0 CJAARO CCc1ccc([C@H](C)[NH2+][C@H](CC)c2ccncc2)s1 ZINC000097017097 529721975 /nfs/dbraw/zinc/72/19/75/529721975.db2.gz OJHGVVULSKYDNG-SWLSCSKDSA-N 1 0 274.433 4.507 50 0 CJAARO C(=C\c1ccccc1)\C[N@H+](Cc1ccco1)C1CCCC1 ZINC000097173662 567144377 /nfs/dbraw/zinc/14/43/77/567144377.db2.gz UDZDPAGPNXRWKF-POHAHGRESA-N 1 0 281.399 4.738 50 0 CJAARO CC(C)[PH+](Cc1cccc(-c2ccccn2)n1)C(C)C ZINC000098043387 185677211 /nfs/dbraw/zinc/67/72/11/185677211.db2.gz FZVNWGPGXZNBOR-UHFFFAOYSA-N 1 0 286.359 4.942 50 0 CJAARO C/C=C1\[N@H+](C)[C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000100053171 567217936 /nfs/dbraw/zinc/21/79/36/567217936.db2.gz AJRJPORIQGYFMT-ZNSKVXGRSA-N 1 0 277.411 4.601 50 0 endogenous,world CJAARO C[NH2+][C@@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)[C@@H]1c1ccccc1)C2 ZINC000100262191 185710363 /nfs/dbraw/zinc/71/03/63/185710363.db2.gz HMQZDEVWTFIVEX-JFVPRCSHSA-N 1 0 283.459 4.595 50 0 CJAARO C[NH2+][C@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)[C@@H]1c1ccccc1)C2 ZINC000100262196 185710841 /nfs/dbraw/zinc/71/08/41/185710841.db2.gz HMQZDEVWTFIVEX-URTLRTLISA-N 1 0 283.459 4.595 50 0 CJAARO C[NH2+][C@@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)[C@H]1c1ccccc1)C2 ZINC000100262199 567912685 /nfs/dbraw/zinc/91/26/85/567912685.db2.gz HMQZDEVWTFIVEX-LOBZHTCKSA-N 1 0 283.459 4.595 50 0 CJAARO C[NH2+][C@H](C)C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)[C@H]1c1ccccc1)C2 ZINC000100262203 185710469 /nfs/dbraw/zinc/71/04/69/185710469.db2.gz HMQZDEVWTFIVEX-HFJXXIIPSA-N 1 0 283.459 4.595 50 0 CJAARO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000101138743 567940797 /nfs/dbraw/zinc/94/07/97/567940797.db2.gz XAHNDOVCAUKUOA-LYLYKKCESA-N 1 0 269.413 4.598 50 0 CJAARO C(=C1/CC2c3ccccc3C1c1ccccc12)\[NH+]1CCCC1 ZINC000102318380 566919737 /nfs/dbraw/zinc/91/97/37/566919737.db2.gz FPXUQAYVCTZTIK-PFONDFGASA-N 1 0 287.406 4.647 50 0 CJAARO CC[NH2+]Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 ZINC000104166629 567882272 /nfs/dbraw/zinc/88/22/72/567882272.db2.gz JWYQISCFGDVNTR-UHFFFAOYSA-N 1 0 296.197 4.895 50 0 CJAARO Cc1cc(Oc2cc(Cl)ccc2C[NH3+])ccc1Cl ZINC000109977412 567882404 /nfs/dbraw/zinc/88/24/04/567882404.db2.gz LIVQMOJBTZVVDO-UHFFFAOYSA-N 1 0 282.170 4.553 50 0 CJAARO Clc1ccc(/C=C/C[C@H]2CCCC[NH2+]2)cc1Cl ZINC000146266277 570273922 /nfs/dbraw/zinc/27/39/22/570273922.db2.gz LFCVWGWUIDRFEZ-AAOUONPWSA-N 1 0 270.203 4.539 50 0 CJAARO CC[NH2+]Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1 ZINC000163463734 567882541 /nfs/dbraw/zinc/88/25/41/567882541.db2.gz XVLHGHAOCGPTDU-UHFFFAOYSA-N 1 0 296.197 4.895 50 0 CJAARO C[C@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067524 567005271 /nfs/dbraw/zinc/00/52/71/567005271.db2.gz XVKDGAVLFNFFNN-SCLBCKFNSA-N 1 0 298.405 4.585 50 0 CJAARO C[C@@H]([NH2+][C@@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067526 567005571 /nfs/dbraw/zinc/00/55/71/567005571.db2.gz XVKDGAVLFNFFNN-FZKQIMNGSA-N 1 0 298.405 4.585 50 0 CJAARO C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067529 567005622 /nfs/dbraw/zinc/00/56/22/567005622.db2.gz XVKDGAVLFNFFNN-UGSOOPFHSA-N 1 0 298.405 4.585 50 0 CJAARO C[C@@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1cncc(F)c1 ZINC000170067532 567005489 /nfs/dbraw/zinc/00/54/89/567005489.db2.gz XVKDGAVLFNFFNN-ACJLOTCBSA-N 1 0 298.405 4.585 50 0 CJAARO Cc1cccc([C@@H](C)[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000170592241 567011834 /nfs/dbraw/zinc/01/18/34/567011834.db2.gz ICMOGOXYIHYNIM-MRXNPFEDSA-N 1 0 265.400 4.725 50 0 CJAARO Cc1cccc([C@H](C)[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000170592242 567011715 /nfs/dbraw/zinc/01/17/15/567011715.db2.gz ICMOGOXYIHYNIM-INIZCTEOSA-N 1 0 265.400 4.725 50 0 CJAARO COc1c(C)cc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)cc1C ZINC000170623045 567015097 /nfs/dbraw/zinc/01/50/97/567015097.db2.gz MIKYYORRVVVDQZ-QGZVFWFLSA-N 1 0 297.442 4.780 50 0 CJAARO COc1c(C)cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)cc1C ZINC000170623046 567015249 /nfs/dbraw/zinc/01/52/49/567015249.db2.gz MIKYYORRVVVDQZ-KRWDZBQOSA-N 1 0 297.442 4.780 50 0 CJAARO CC(C)[C@H]([NH2+]Cc1ccccc1)c1cc2ccccc2o1 ZINC000170625058 567015717 /nfs/dbraw/zinc/01/57/17/567015717.db2.gz OOJVVWCNDUEOOM-IBGZPJMESA-N 1 0 279.383 4.920 50 0 CJAARO CC(C)[C@@H]([NH2+]Cc1ccccc1)c1cc2ccccc2o1 ZINC000170625059 567015921 /nfs/dbraw/zinc/01/59/21/567015921.db2.gz OOJVVWCNDUEOOM-LJQANCHMSA-N 1 0 279.383 4.920 50 0 CJAARO CC(C)c1ccc(C[N@H+](C/C=C\Cl)C2CC2)cc1 ZINC000206391012 567931564 /nfs/dbraw/zinc/93/15/64/567931564.db2.gz HQJJLIRQWBNWBE-KMKOMSMNSA-N 1 0 263.812 4.527 50 0 CJAARO CCC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000213675308 570370071 /nfs/dbraw/zinc/37/00/71/570370071.db2.gz RJYXCZSDKCUTGD-YOEHRIQHSA-N 1 0 297.398 4.607 50 0 CJAARO CCC[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000213675421 570301733 /nfs/dbraw/zinc/30/17/33/570301733.db2.gz RJYXCZSDKCUTGD-PBHICJAKSA-N 1 0 297.398 4.607 50 0 CJAARO CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](c2cccc(C)c2)C1 ZINC000216005270 567152973 /nfs/dbraw/zinc/15/29/73/567152973.db2.gz QYTDPEDVPXCAKK-VQTJNVASSA-N 1 0 279.427 4.588 50 0 CJAARO CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](c2cccc(C)c2)C1 ZINC000216005320 570304744 /nfs/dbraw/zinc/30/47/44/570304744.db2.gz QYTDPEDVPXCAKK-WOJBJXKFSA-N 1 0 279.427 4.588 50 0 CJAARO CC(C)CC[NH+](CCC(C)C)Cc1nc(C2CC2)cs1 ZINC000225513809 567953748 /nfs/dbraw/zinc/95/37/48/567953748.db2.gz SXCRHSHURLHVEZ-UHFFFAOYSA-N 1 0 294.508 4.915 50 0 CJAARO FC1(F)CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000225769536 230399695 /nfs/dbraw/zinc/39/96/95/230399695.db2.gz RYWSXYRQEOLIOV-QWHCGFSZSA-N 1 0 285.403 4.711 50 0 CJAARO FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC000225769554 230399698 /nfs/dbraw/zinc/39/96/98/230399698.db2.gz RYWSXYRQEOLIOV-CHWSQXEVSA-N 1 0 285.403 4.711 50 0 CJAARO c1ccc([C@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)cc1 ZINC000239667413 570355173 /nfs/dbraw/zinc/35/51/73/570355173.db2.gz BPVNAUFRHXKHOH-ICSRJNTNSA-N 1 0 277.411 4.554 50 0 CJAARO c1ccc([C@@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)cc1 ZINC000239667414 570355179 /nfs/dbraw/zinc/35/51/79/570355179.db2.gz BPVNAUFRHXKHOH-QUCCMNQESA-N 1 0 277.411 4.554 50 0 CJAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1F ZINC000240912269 567044454 /nfs/dbraw/zinc/04/44/54/567044454.db2.gz IWZXPKQXHJOJOA-SUHUHFCYSA-N 1 0 289.316 4.597 50 0 CJAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(F)(F)F)c1ccccc1F ZINC000240912270 567043589 /nfs/dbraw/zinc/04/35/89/567043589.db2.gz IWZXPKQXHJOJOA-ZKYQVNSYSA-N 1 0 289.316 4.597 50 0 CJAARO c1ccc(C[NH+](Cc2ccccc2)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000244701216 566967815 /nfs/dbraw/zinc/96/78/15/566967815.db2.gz KCGBZCAXHKGXDQ-AERCQKQUSA-N 1 0 291.438 4.877 50 0 CJAARO C[C@@H](CC[N@@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000244893066 566969183 /nfs/dbraw/zinc/96/91/83/566969183.db2.gz YUWXDQSNYTUSNB-PXNSSMCTSA-N 1 0 294.442 4.802 50 0 CJAARO C[C@H](CC[N@@H+]1CCCC[C@H]1c1cccnc1)c1ccccc1 ZINC000244893067 566968863 /nfs/dbraw/zinc/96/88/63/566968863.db2.gz YUWXDQSNYTUSNB-XLIONFOSSA-N 1 0 294.442 4.802 50 0 CJAARO C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@H]2[NH3+] ZINC000245256995 566969457 /nfs/dbraw/zinc/96/94/57/566969457.db2.gz VLULBHZUYRXISM-GVIBCLJVSA-N 1 0 275.480 4.747 50 0 CJAARO C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@@H]2[NH3+] ZINC000245256996 566969314 /nfs/dbraw/zinc/96/93/14/566969314.db2.gz VLULBHZUYRXISM-LPJTWDLVSA-N 1 0 275.480 4.747 50 0 CJAARO CC(C)[C@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC000248210976 567928876 /nfs/dbraw/zinc/92/88/76/567928876.db2.gz DGUPQKFXPUQMTF-IBGZPJMESA-N 1 0 290.410 4.722 50 0 CJAARO CC(C)[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccccc1 ZINC000248210978 567928776 /nfs/dbraw/zinc/92/87/76/567928776.db2.gz DGUPQKFXPUQMTF-LJQANCHMSA-N 1 0 290.410 4.722 50 0 CJAARO CC1(C)C(c2ccccc2)[N+](=O)C(C)(C)[C@H]1c1ccccc1 ZINC000248341247 189947072 /nfs/dbraw/zinc/94/70/72/189947072.db2.gz WAJUNXABEUKBFO-KRWDZBQOSA-N 1 0 293.410 4.588 50 0 CJAARO CC1(C)C(c2ccccc2)[N+](=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000248341249 189946493 /nfs/dbraw/zinc/94/64/93/189946493.db2.gz WAJUNXABEUKBFO-QGZVFWFLSA-N 1 0 293.410 4.588 50 0 CJAARO FC1(F)CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000252549999 570375509 /nfs/dbraw/zinc/37/55/09/570375509.db2.gz RYWSXYRQEOLIOV-OLZOCXBDSA-N 1 0 285.403 4.711 50 0 CJAARO FC1(F)CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC000252550000 567930088 /nfs/dbraw/zinc/93/00/88/567930088.db2.gz RYWSXYRQEOLIOV-STQMWFEESA-N 1 0 285.403 4.711 50 0 CJAARO Cc1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1F ZINC000302899660 333335862 /nfs/dbraw/zinc/33/58/62/333335862.db2.gz QBWZNZWCKQSKRT-UHFFFAOYSA-N 1 0 298.188 4.731 50 0 CJAARO CCC1=C[N@@H+](CC)/C(=C/C=C2\C=Nc3ccccc32)C=C1 ZINC000334159102 206119362 /nfs/dbraw/zinc/11/93/62/206119362.db2.gz UIBCKKGCCMWYMA-JTCWOHKRSA-N 1 0 276.383 4.855 50 0 CJAARO CCC1=C[N@@H+](CC)/C(=C/C=C2/C=Nc3ccccc32)C=C1 ZINC000334159103 206121270 /nfs/dbraw/zinc/12/12/70/206121270.db2.gz UIBCKKGCCMWYMA-OGLSOCIUSA-N 1 0 276.383 4.855 50 0 CJAARO Cc1ccc(Cl)cc1N[N+](=O)c1cccc(Cl)c1 ZINC000334160142 524759942 /nfs/dbraw/zinc/75/99/42/524759942.db2.gz VDOZHVQKZUWKLQ-UHFFFAOYSA-N 1 0 282.150 4.739 50 0 CJAARO CC(C)(CC1CCCCCC1)[NH2+]Cc1ccccc1 ZINC000408525878 567927586 /nfs/dbraw/zinc/92/75/86/567927586.db2.gz CJKPAINWBXITDI-UHFFFAOYSA-N 1 0 259.437 4.915 50 0 CJAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nc(C)c1C ZINC000426547508 230422527 /nfs/dbraw/zinc/42/25/27/230422527.db2.gz BWBZJZNTKSTDSJ-KRWDZBQOSA-N 1 0 294.442 4.831 50 0 CJAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nc(C)c1C ZINC000426547513 566989086 /nfs/dbraw/zinc/98/90/86/566989086.db2.gz BWBZJZNTKSTDSJ-QGZVFWFLSA-N 1 0 294.442 4.831 50 0 CJAARO CC(C)n1ccnc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000426705913 570319090 /nfs/dbraw/zinc/31/90/90/570319090.db2.gz VXXFGLIPQNGAGY-MRXNPFEDSA-N 1 0 297.446 4.678 50 0 CJAARO C[C@@H](Cc1ccc2ccccc2c1)[NH2+]Cc1ccccc1 ZINC000521398136 566976315 /nfs/dbraw/zinc/97/63/15/566976315.db2.gz JIFODJHVUSZKPO-INIZCTEOSA-N 1 0 275.395 4.561 50 0 CJAARO C[C@H](Cc1ccc2ccccc2c1)[NH2+]Cc1ccccc1 ZINC000521398137 566977006 /nfs/dbraw/zinc/97/70/06/566977006.db2.gz JIFODJHVUSZKPO-MRXNPFEDSA-N 1 0 275.395 4.561 50 0 CJAARO Cc1nc(C)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)s1 ZINC000534587315 328316013 /nfs/dbraw/zinc/31/60/13/328316013.db2.gz KPPWVEJLOKVTIW-CYBMUJFWSA-N 1 0 286.444 4.584 50 0 CJAARO Cc1nc(C)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)s1 ZINC000534587320 328316092 /nfs/dbraw/zinc/31/60/92/328316092.db2.gz KPPWVEJLOKVTIW-ZDUSSCGKSA-N 1 0 286.444 4.584 50 0 CJAARO CC(=O)c1sccc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000534589983 328317641 /nfs/dbraw/zinc/31/76/41/328317641.db2.gz VTDPIMHZCBKRDM-CYBMUJFWSA-N 1 0 299.439 4.775 50 0 CJAARO CC(=O)c1sccc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000534589984 328317665 /nfs/dbraw/zinc/31/76/65/328317665.db2.gz VTDPIMHZCBKRDM-ZDUSSCGKSA-N 1 0 299.439 4.775 50 0 CJAARO CC(=O)c1ccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)s1 ZINC000534672356 328348157 /nfs/dbraw/zinc/34/81/57/328348157.db2.gz KYLSNZNVELEIBS-CYBMUJFWSA-N 1 0 299.439 4.775 50 0 CJAARO CC(=O)c1ccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)s1 ZINC000534672357 328348133 /nfs/dbraw/zinc/34/81/33/328348133.db2.gz KYLSNZNVELEIBS-ZDUSSCGKSA-N 1 0 299.439 4.775 50 0 CJAARO FC(F)(F)Sc1ccccc1C[NH2+]CC1CCCC1 ZINC000725270027 567924491 /nfs/dbraw/zinc/92/44/91/567924491.db2.gz CSWSTEAZILXHQA-UHFFFAOYSA-N 1 0 289.366 4.578 50 0 CJAARO FC(F)(F)Sc1ccccc1C[NH2+]Cc1ccccc1 ZINC000725270043 567924299 /nfs/dbraw/zinc/92/42/99/567924299.db2.gz DEHBIIXQHOXEGS-UHFFFAOYSA-N 1 0 297.345 4.588 50 0 CJAARO