smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(OCCn2c3ccccc3[nH+]c2C(C)C)c(C)c1 ZINC000040231238 183047659 /nfs/dbraw/zinc/04/76/59/183047659.db2.gz VMUXKHIJLQICCQ-UHFFFAOYSA-N 1 2 308.425 4.856 10 0 DJAELO C[C@H](Cc1ccc(Sc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000100356244 257232234 /nfs/dbraw/zinc/23/22/34/257232234.db2.gz REKLVIOPVFDASM-MRXNPFEDSA-N 1 2 308.450 4.913 10 0 DJAELO Cc1ccc([C@@H](C)[NH2+]Cc2csc(-c3ccc(F)cc3)n2)o1 ZINC000022742387 335117262 /nfs/dbraw/zinc/11/72/62/335117262.db2.gz HUXZDWRCMBNRTM-GFCCVEGCSA-N 1 2 316.401 4.701 10 0 DJAELO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669962 334268765 /nfs/dbraw/zinc/26/87/65/334268765.db2.gz WHOIPEZVSBLIPU-OXQOHEQNSA-N 1 2 319.452 4.973 10 0 DJAELO Cc1cc(N[C@@H](C)c2csc(C(C)C)n2)nc(C(C)C)[nH+]1 ZINC000301586007 336316646 /nfs/dbraw/zinc/31/66/46/336316646.db2.gz RFMQYXKBSOHWDS-LBPRGKRZSA-N 1 2 304.463 4.661 10 0 DJAELO Fc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430914 337164733 /nfs/dbraw/zinc/16/47/33/337164733.db2.gz LJFLBXSSZFBKQE-PXNSSMCTSA-N 1 2 323.367 4.622 10 0 DJAELO Fc1cccc2c1OCC[C@@H]2[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000188039996 337270153 /nfs/dbraw/zinc/27/01/53/337270153.db2.gz BTNDGKZHHNJLOR-HKUYNNGSSA-N 1 2 323.367 4.622 10 0 DJAELO CC(C)c1nc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000181425087 519864209 /nfs/dbraw/zinc/86/42/09/519864209.db2.gz XBJYOYPXVLJHMY-OAHLLOKOSA-N 1 2 321.424 4.711 10 0 DJAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccccc3F)c2c1 ZINC000040177070 183043934 /nfs/dbraw/zinc/04/39/34/183043934.db2.gz WRCKTYSODUFQPF-UHFFFAOYSA-N 1 2 308.356 4.551 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCCOc1cc(C)cc(C)c1 ZINC000040224733 183047001 /nfs/dbraw/zinc/04/70/01/183047001.db2.gz TZQWCHKWBWGTQJ-UHFFFAOYSA-N 1 2 308.425 4.821 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1cccc(C)c1C ZINC000040227387 183047557 /nfs/dbraw/zinc/04/75/57/183047557.db2.gz CBVWQQLLHPTOBI-UHFFFAOYSA-N 1 2 308.425 4.685 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1ccc(CC)cc1 ZINC000040227427 183047611 /nfs/dbraw/zinc/04/76/11/183047611.db2.gz CWIKPIJAEHOYCY-UHFFFAOYSA-N 1 2 308.425 4.630 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000040227378 183048134 /nfs/dbraw/zinc/04/81/34/183048134.db2.gz JXGKIMJGEFKOJA-UHFFFAOYSA-N 1 2 322.452 4.975 10 0 DJAELO C[C@H](CC[NH2+]c1ccc(N)cc1Br)c1ccccc1 ZINC000061910181 184194782 /nfs/dbraw/zinc/19/47/82/184194782.db2.gz OKBGSADUULRQJC-GFCCVEGCSA-N 1 2 319.246 4.637 10 0 DJAELO C[C@H]1CCCCN1c1cc(-c2ccccn2)[nH+]c2ccccc21 ZINC000029464949 134673657 /nfs/dbraw/zinc/67/36/57/134673657.db2.gz YLLJLGHEOVKAJE-HNNXBMFYSA-N 1 2 303.409 4.676 10 0 DJAELO CCc1cnc(C[NH2+][C@@H](c2ccccc2)c2ccccc2C)s1 ZINC000180655855 333028511 /nfs/dbraw/zinc/02/85/11/333028511.db2.gz VHLPRVVQHKRCIX-FQEVSTJZSA-N 1 2 322.477 4.893 10 0 DJAELO CCc1cnc([C@@H](C)Nc2cc(C)[nH+]c3c(F)cccc23)s1 ZINC000301666723 336322028 /nfs/dbraw/zinc/32/20/28/336322028.db2.gz LXFGPOGUJDEKLD-LLVKDONJSA-N 1 2 315.417 4.874 10 0 DJAELO CC(C)n1cc[nH+]c1CNc1c(F)cc(Cl)cc1Cl ZINC000180870266 337178242 /nfs/dbraw/zinc/17/82/42/337178242.db2.gz LMJFDABPZYSABP-UHFFFAOYSA-N 1 2 302.180 4.522 10 0 DJAELO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000186060307 337253293 /nfs/dbraw/zinc/25/32/93/337253293.db2.gz GOITXTRHEVSALO-QGZVFWFLSA-N 1 2 317.436 4.611 10 0 DJAELO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000130910810 341054013 /nfs/dbraw/zinc/05/40/13/341054013.db2.gz IYQXZMALOASEEH-LBPRGKRZSA-N 1 2 319.836 4.574 10 0 DJAELO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000130910810 341054014 /nfs/dbraw/zinc/05/40/14/341054014.db2.gz IYQXZMALOASEEH-LBPRGKRZSA-N 1 2 319.836 4.574 10 0 DJAELO CC[C@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897254 522710305 /nfs/dbraw/zinc/71/03/05/522710305.db2.gz HELWSVLGWDJXDY-JKSUJKDBSA-N 1 2 317.408 4.524 10 0 DJAELO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)o1 ZINC000182585883 525929949 /nfs/dbraw/zinc/92/99/49/525929949.db2.gz JURGOAZTXMQHFH-JTQLQIEISA-N 1 2 324.302 4.599 10 0 DJAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cnc(C(C)(C)C)s2)cs1 ZINC000189937040 527051576 /nfs/dbraw/zinc/05/15/76/527051576.db2.gz AYYPIPXSGUFHRX-AWEZNQCLSA-N 1 2 321.515 4.543 10 0 DJAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2cnc(C(C)(C)C)s2)cs1 ZINC000189937040 527051581 /nfs/dbraw/zinc/05/15/81/527051581.db2.gz AYYPIPXSGUFHRX-AWEZNQCLSA-N 1 2 321.515 4.543 10 0 DJAELO CC(C)=CC[N@H+]1Cc2c3c(ccc2Cl)[nH]c(=S)n3C[C@@H]1C ZINC000005551645 181256257 /nfs/dbraw/zinc/25/62/57/181256257.db2.gz ZNFFMCYSMBXZQU-NSHDSACASA-N 1 2 321.877 4.523 10 0 in-man DJAELO CC(C)=CC[N@@H+]1Cc2c3c(ccc2Cl)[nH]c(=S)n3C[C@@H]1C ZINC000005551645 181256258 /nfs/dbraw/zinc/25/62/58/181256258.db2.gz ZNFFMCYSMBXZQU-NSHDSACASA-N 1 2 321.877 4.523 10 0 in-man DJAELO Cc1cccc2c1[nH+]c(C(C)C)n2Cc1c(F)cccc1F ZINC000005931349 181296993 /nfs/dbraw/zinc/29/69/93/181296993.db2.gz VHVDRHABPLFKJW-UHFFFAOYSA-N 1 2 300.352 4.795 10 0 DJAELO Fc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2cc[nH+]c2)cc1 ZINC000005974747 181302802 /nfs/dbraw/zinc/30/28/02/181302802.db2.gz VCCSUYJQNJEZSO-FQEVSTJZSA-N 1 2 317.367 4.655 10 0 DJAELO Cc1cc2[nH+]c(CCCO)n(CCC3CCCCC3)c2cc1C ZINC000040311042 183053453 /nfs/dbraw/zinc/05/34/53/183053453.db2.gz MPFBTSXUGNSGCF-UHFFFAOYSA-N 1 2 314.473 4.548 10 0 DJAELO CCc1[nH+]c2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417761 183063733 /nfs/dbraw/zinc/06/37/33/183063733.db2.gz FGNYRAPREFEATJ-UHFFFAOYSA-N 1 2 304.315 4.666 10 0 DJAELO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1cccc(Cl)c1 ZINC000090803064 332034746 /nfs/dbraw/zinc/03/47/46/332034746.db2.gz RDGVHDQQMWHUJQ-VIFPVBQESA-N 1 2 300.711 4.927 10 0 DJAELO CC(C)c1ccc([C@@H](C)[NH2+]Cc2nc(C3CCCC3)no2)cc1 ZINC000178745197 333019287 /nfs/dbraw/zinc/01/92/87/333019287.db2.gz MULLYUVDRWWPMS-CQSZACIVSA-N 1 2 313.445 4.701 10 0 DJAELO Cc1cc(N[C@H](C)c2csc(C(C)C)n2)nc(C(C)C)[nH+]1 ZINC000301586006 336316582 /nfs/dbraw/zinc/31/65/82/336316582.db2.gz RFMQYXKBSOHWDS-GFCCVEGCSA-N 1 2 304.463 4.661 10 0 DJAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1Cl ZINC000185822998 337250495 /nfs/dbraw/zinc/25/04/95/337250495.db2.gz YXGAZOKTKJZRRI-AWEZNQCLSA-N 1 2 323.827 4.648 10 0 DJAELO CCc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186053342 337253174 /nfs/dbraw/zinc/25/31/74/337253174.db2.gz JAJGDEUGXJKBIS-MRXNPFEDSA-N 1 2 317.436 4.557 10 0 DJAELO Fc1cccc2c1[C@H](C[C@H](F)C1CCCCC1)n1c[nH+]cc1-2 ZINC000584638955 337379714 /nfs/dbraw/zinc/37/97/14/337379714.db2.gz OHWIXLJBJCDWBA-HOTGVXAUSA-N 1 2 302.368 4.901 10 0 DJAELO Cc1cccnc1C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000071339364 341030338 /nfs/dbraw/zinc/03/03/38/341030338.db2.gz KWWQWRQFSMYPJR-SNVBAGLBSA-N 1 2 313.203 4.687 10 0 DJAELO CC[C@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897297 522751103 /nfs/dbraw/zinc/75/11/03/522751103.db2.gz HELWSVLGWDJXDY-HOTGVXAUSA-N 1 2 317.408 4.524 10 0 DJAELO CC[C@@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897280 522922609 /nfs/dbraw/zinc/92/26/09/522922609.db2.gz HELWSVLGWDJXDY-HZPDHXFCSA-N 1 2 317.408 4.524 10 0 DJAELO Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000130503990 334926665 /nfs/dbraw/zinc/92/66/65/334926665.db2.gz OHEMBEYHSNFOEU-ZDUSSCGKSA-N 1 2 308.429 4.668 10 0 DJAELO CCc1ccc(C(=O)Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000040177071 183043902 /nfs/dbraw/zinc/04/39/02/183043902.db2.gz VHLYIWUGGUJKAT-UHFFFAOYSA-N 1 2 318.420 4.975 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000040227409 183047534 /nfs/dbraw/zinc/04/75/34/183047534.db2.gz DWLUENSDNMGJIE-UHFFFAOYSA-N 1 2 308.425 4.685 10 0 DJAELO C[C@@H](CC[NH2+]c1ccc(N)cc1Br)c1ccccc1 ZINC000061910180 184194828 /nfs/dbraw/zinc/19/48/28/184194828.db2.gz OKBGSADUULRQJC-LBPRGKRZSA-N 1 2 319.246 4.637 10 0 DJAELO CC(C)n1cc[nH+]c1CSCc1cc(F)cc2cccnc21 ZINC000175286092 332885150 /nfs/dbraw/zinc/88/51/50/332885150.db2.gz LFUFRXBQAJXFDP-UHFFFAOYSA-N 1 2 315.417 4.585 10 0 DJAELO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccccc1Cl ZINC000090803193 332034622 /nfs/dbraw/zinc/03/46/22/332034622.db2.gz YRTBCNMXPMPVIG-VIFPVBQESA-N 1 2 300.711 4.927 10 0 DJAELO Cc1cnc(C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000177961045 332999785 /nfs/dbraw/zinc/99/97/85/332999785.db2.gz HCLWPMFPBRIKPX-MRVPVSSYSA-N 1 2 319.232 4.748 10 0 DJAELO Cc1cccc(C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)n1 ZINC000051574077 335750875 /nfs/dbraw/zinc/75/08/75/335750875.db2.gz OJKSICBKWQIFHV-JTQLQIEISA-N 1 2 313.203 4.687 10 0 DJAELO CCn1cc[nH+]c1CSCc1csc(-c2ccsc2)n1 ZINC000083633163 337995907 /nfs/dbraw/zinc/99/59/07/337995907.db2.gz JGFRYHBLIIJLFF-UHFFFAOYSA-N 1 2 321.496 4.521 10 0 DJAELO CC(C)c1nnc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000181426182 519887662 /nfs/dbraw/zinc/88/76/62/519887662.db2.gz MQCFXDVFSPQVSR-OAHLLOKOSA-N 1 2 321.424 4.711 10 0 DJAELO CC(C)n1cc[nH+]c1CNc1ccccc1SC(F)(F)F ZINC000124358052 520032884 /nfs/dbraw/zinc/03/28/84/520032884.db2.gz OEGIKKJARPIKRE-UHFFFAOYSA-N 1 2 315.364 4.688 10 0 DJAELO Cc1nc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)oc1C ZINC000180074590 526894276 /nfs/dbraw/zinc/89/42/76/526894276.db2.gz LPDDLPAVEXRDSP-INIZCTEOSA-N 1 2 324.346 4.551 10 0 DJAELO Fc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000095940880 563931945 /nfs/dbraw/zinc/93/19/45/563931945.db2.gz CHZIPZQBHYPXHR-LJQANCHMSA-N 1 2 321.399 4.553 10 0 DJAELO Fc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000095940880 563931946 /nfs/dbraw/zinc/93/19/46/563931946.db2.gz CHZIPZQBHYPXHR-LJQANCHMSA-N 1 2 321.399 4.553 10 0 DJAELO Cc1ccc(OCCCn2c[nH+]c3cc(C)c(C)cc32)c(C)c1 ZINC000040224068 183046923 /nfs/dbraw/zinc/04/69/23/183046923.db2.gz LCJJRPQASLBZQD-UHFFFAOYSA-N 1 2 308.425 4.739 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCOc1cc(C)c(Cl)c(C)c1 ZINC000040224650 183047071 /nfs/dbraw/zinc/04/70/71/183047071.db2.gz IRJVXZNECWTZLD-UHFFFAOYSA-N 1 2 314.816 4.694 10 0 DJAELO Cc1ccc(OCCn2c3ccccc3[nH+]c2C(C)C)cc1C ZINC000040231324 183047837 /nfs/dbraw/zinc/04/78/37/183047837.db2.gz FGXVQOJVAAYJTH-UHFFFAOYSA-N 1 2 308.425 4.856 10 0 DJAELO Cc1cccc(OCCn2c3ccccc3[nH+]c2C(C)C)c1C ZINC000040231236 183047899 /nfs/dbraw/zinc/04/78/99/183047899.db2.gz ZPPKRJDAPSTEQA-UHFFFAOYSA-N 1 2 308.425 4.856 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000040227415 183047958 /nfs/dbraw/zinc/04/79/58/183047958.db2.gz YYVQRRQEHXOWHN-UHFFFAOYSA-N 1 2 308.425 4.685 10 0 DJAELO Cc1nc(C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)cs1 ZINC000040443785 333353112 /nfs/dbraw/zinc/35/31/12/333353112.db2.gz IVMGZLBWRLQJNY-SSDOTTSWSA-N 1 2 319.232 4.748 10 0 DJAELO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1cc2cc(Cl)ccc2o1 ZINC000301274430 336298098 /nfs/dbraw/zinc/29/80/98/336298098.db2.gz LGQZLSAIDCWAJF-SNVBAGLBSA-N 1 2 313.788 4.927 10 0 DJAELO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000301510007 336311420 /nfs/dbraw/zinc/31/14/20/336311420.db2.gz DWBAXWJQKCFOAR-QMMMGPOBSA-N 1 2 302.246 4.552 10 0 DJAELO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607303 337165359 /nfs/dbraw/zinc/16/53/59/337165359.db2.gz UAAMXYQHSFUKEU-XOBRGWDASA-N 1 2 324.374 4.800 10 0 DJAELO CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(F)c1 ZINC000188467811 337273561 /nfs/dbraw/zinc/27/35/61/337273561.db2.gz FZVODILFAAXKBO-LJQANCHMSA-N 1 2 321.399 4.524 10 0 DJAELO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(F)c1 ZINC000188467785 337273598 /nfs/dbraw/zinc/27/35/98/337273598.db2.gz FZVODILFAAXKBO-IBGZPJMESA-N 1 2 321.399 4.524 10 0 DJAELO Clc1cccc([C@H](c2ccnc3ccccc32)n2cc[nH+]c2)c1 ZINC000029135288 563433579 /nfs/dbraw/zinc/43/35/79/563433579.db2.gz FWPFVHKEQZWWIQ-LJQANCHMSA-N 1 2 319.795 4.722 10 0 DJAELO Cc1cccc(C)c1Nc1ncc(-c2ccccc2)n2c[nH+]cc12 ZINC000028642117 581091990 /nfs/dbraw/zinc/09/19/90/581091990.db2.gz KKYYLKPGILUPOA-UHFFFAOYSA-N 1 2 314.392 4.757 10 0 in-vivo DJAELO Fc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2cc[nH+]c2)cc1 ZINC000005974738 181302755 /nfs/dbraw/zinc/30/27/55/181302755.db2.gz VCCSUYJQNJEZSO-HXUWFJFHSA-N 1 2 317.367 4.655 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCCOc1ccccc1Cl ZINC000040224728 183047048 /nfs/dbraw/zinc/04/70/48/183047048.db2.gz IKHFCFHTMMGIRZ-UHFFFAOYSA-N 1 2 314.816 4.857 10 0 DJAELO Cc1cc(Cl)cn2cc(-c3ccc(Br)cc3)[nH+]c12 ZINC000040383803 183059447 /nfs/dbraw/zinc/05/94/47/183059447.db2.gz QGLMPKMMSGYPSL-UHFFFAOYSA-N 1 2 321.605 4.726 10 0 DJAELO Cc1ncc(C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000040443787 183067484 /nfs/dbraw/zinc/06/74/84/183067484.db2.gz LKWOVXOZNGCAOY-SSDOTTSWSA-N 1 2 319.232 4.748 10 0 DJAELO FC(F)(F)c1cc[nH+]c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000301509282 336311322 /nfs/dbraw/zinc/31/13/22/336311322.db2.gz DQLURHSVQTWBPE-SCZZXKLOSA-N 1 2 312.257 4.633 10 0 DJAELO C[C@H](c1ccco1)[N@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173583168 337136665 /nfs/dbraw/zinc/13/66/65/337136665.db2.gz WCMFTYKRTSBICY-GFCCVEGCSA-N 1 2 316.788 4.781 10 0 DJAELO C[C@H](c1ccco1)[N@@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173583168 337136666 /nfs/dbraw/zinc/13/66/66/337136666.db2.gz WCMFTYKRTSBICY-GFCCVEGCSA-N 1 2 316.788 4.781 10 0 DJAELO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607315 337165401 /nfs/dbraw/zinc/16/54/01/337165401.db2.gz UAAMXYQHSFUKEU-VLIAUNLRSA-N 1 2 324.374 4.800 10 0 DJAELO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607333 337165467 /nfs/dbraw/zinc/16/54/67/337165467.db2.gz UAAMXYQHSFUKEU-JLTOFOAXSA-N 1 2 324.374 4.800 10 0 DJAELO Fc1cccc2c1OCC[C@@H]2[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000188040015 337270140 /nfs/dbraw/zinc/27/01/40/337270140.db2.gz BTNDGKZHHNJLOR-PKOBYXMFSA-N 1 2 323.367 4.622 10 0 DJAELO Clc1ccc([C@H]2c3ccccc3-c3[nH+]ccn32)cc1Cl ZINC000584639045 337379688 /nfs/dbraw/zinc/37/96/88/337379688.db2.gz WTUCWHNAKUZGRB-HNNXBMFYSA-N 1 2 301.176 4.808 10 0 DJAELO CC[C@@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198942 522922857 /nfs/dbraw/zinc/92/28/57/522922857.db2.gz BKHBZJCCZDSGMI-HZPDHXFCSA-N 1 2 317.408 4.524 10 0 DJAELO Cc1cccc(C)c1Nc1ncc(-c2cccs2)n2c[nH+]cc12 ZINC000028641754 581093040 /nfs/dbraw/zinc/09/30/40/581093040.db2.gz DUXVIKPKWVMTAK-UHFFFAOYSA-N 1 2 320.421 4.818 10 0 DJAELO CCCCn1c2ccccc2n2cc(-c3ccc(OC)cc3)[nH+]c21 ZINC000005285315 181226249 /nfs/dbraw/zinc/22/62/49/181226249.db2.gz UDBIWFBBGKQIGA-UHFFFAOYSA-N 1 2 319.408 4.765 10 0 DJAELO Cc1c2ccccc2oc1[C@H]([NH3+])c1ccc(Br)s1 ZINC000038002198 182958832 /nfs/dbraw/zinc/95/88/32/182958832.db2.gz NCHDIUWLIQMPKF-CYBMUJFWSA-N 1 2 322.227 4.613 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000040224689 183046773 /nfs/dbraw/zinc/04/67/73/183046773.db2.gz LOJOXZBKLRNIQI-UHFFFAOYSA-N 1 2 314.816 4.776 10 0 DJAELO CCc1ccc(OCCCn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000040224105 183046791 /nfs/dbraw/zinc/04/67/91/183046791.db2.gz NQKNFFCKKVLGKV-UHFFFAOYSA-N 1 2 308.425 4.685 10 0 DJAELO Cc1cccc(OCCCn2c[nH+]c3cc(C)c(C)cc32)c1C ZINC000040224067 183046959 /nfs/dbraw/zinc/04/69/59/183046959.db2.gz IOHMYILMEYESBS-UHFFFAOYSA-N 1 2 308.425 4.739 10 0 DJAELO CC(C)c1[nH+]c2ccccc2n1CCOc1ccccc1Cl ZINC000040231256 183047882 /nfs/dbraw/zinc/04/78/82/183047882.db2.gz UMMIDEPTHJKSFX-UHFFFAOYSA-N 1 2 314.816 4.892 10 0 DJAELO Cc1ccccc1OCCCn1c2ccccc2[nH+]c1C(C)C ZINC000040231277 183047884 /nfs/dbraw/zinc/04/78/84/183047884.db2.gz DEZJAFLJBAIKTG-UHFFFAOYSA-N 1 2 308.425 4.937 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000040227365 183048138 /nfs/dbraw/zinc/04/81/38/183048138.db2.gz ODZLHZGPJLFWDP-UHFFFAOYSA-N 1 2 314.816 4.640 10 0 DJAELO CC(C)c1[nH+]c2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000040231410 183048443 /nfs/dbraw/zinc/04/84/43/183048443.db2.gz ZOHYAJADSBKXRN-UHFFFAOYSA-N 1 2 312.800 4.696 10 0 DJAELO Cc1ccc(OCCn2c3ccccc3[nH+]c2C2CC2)cc1C ZINC000040231654 183048705 /nfs/dbraw/zinc/04/87/05/183048705.db2.gz PIJDNVDKYJSJIT-UHFFFAOYSA-N 1 2 306.409 4.610 10 0 DJAELO Brc1ccc2cc(Oc3cc[nH+]cc3)ccc2c1 ZINC000042477746 183274518 /nfs/dbraw/zinc/27/45/18/183274518.db2.gz BVAJYPONYGHFQB-UHFFFAOYSA-N 1 2 300.155 4.790 10 0 DJAELO CCn1cc[nH+]c1CNc1ccccc1Sc1ccccc1 ZINC000177093391 332971543 /nfs/dbraw/zinc/97/15/43/332971543.db2.gz XBUGDCCWEPRPKB-UHFFFAOYSA-N 1 2 309.438 4.666 10 0 DJAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(Cl)cc1 ZINC000185825448 337250515 /nfs/dbraw/zinc/25/05/15/337250515.db2.gz MZJITWUTLDDPJM-AWEZNQCLSA-N 1 2 323.827 4.648 10 0 DJAELO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1F ZINC000186060835 337253288 /nfs/dbraw/zinc/25/32/88/337253288.db2.gz ZPRGSLOMKYFWQK-IBGZPJMESA-N 1 2 321.399 4.524 10 0 DJAELO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2csc(C3CC3)n2)o1 ZINC000135597211 341242643 /nfs/dbraw/zinc/24/26/43/341242643.db2.gz PMXDLDVJUXMCMK-HNNXBMFYSA-N 1 2 302.443 4.649 10 0 DJAELO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2csc(C3CC3)n2)o1 ZINC000135597211 341242644 /nfs/dbraw/zinc/24/26/44/341242644.db2.gz PMXDLDVJUXMCMK-HNNXBMFYSA-N 1 2 302.443 4.649 10 0 DJAELO CC[C@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198914 522709652 /nfs/dbraw/zinc/70/96/52/522709652.db2.gz BKHBZJCCZDSGMI-JKSUJKDBSA-N 1 2 317.408 4.524 10 0 DJAELO Cc1nc(C[NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)oc1C ZINC000181739941 526891779 /nfs/dbraw/zinc/89/17/79/526891779.db2.gz XKIRBZBWAWOWJK-HNNXBMFYSA-N 1 2 316.445 4.567 10 0 DJAELO CC[NH+]=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)S1 ZINC000003623386 181042461 /nfs/dbraw/zinc/04/24/61/181042461.db2.gz ZGOWZGZRTGGMMM-OAHLLOKOSA-N 1 2 302.830 4.773 10 0 in-man DJAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)CCc3ccccc3)c2c1 ZINC000040177068 183044064 /nfs/dbraw/zinc/04/40/64/183044064.db2.gz LBFCXPQCDPFNCB-UHFFFAOYSA-N 1 2 318.420 4.731 10 0 DJAELO Cc1cc2[nH+]cn(CCCOc3ccccc3Cl)c2cc1C ZINC000040224084 183046966 /nfs/dbraw/zinc/04/69/66/183046966.db2.gz FXSKEQLLYCYXNW-UHFFFAOYSA-N 1 2 314.816 4.776 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1ccccc1Cl ZINC000040227405 183047586 /nfs/dbraw/zinc/04/75/86/183047586.db2.gz ZLWFKGJTIFODLL-UHFFFAOYSA-N 1 2 314.816 4.721 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCOc1ccccc1C(C)C ZINC000040227349 183048152 /nfs/dbraw/zinc/04/81/52/183048152.db2.gz KKQNOQKSFULDGG-UHFFFAOYSA-N 1 2 308.425 4.801 10 0 DJAELO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1cccc(Cl)c1 ZINC000090803065 332034731 /nfs/dbraw/zinc/03/47/31/332034731.db2.gz RDGVHDQQMWHUJQ-SECBINFHSA-N 1 2 300.711 4.927 10 0 DJAELO Cc1noc(C)c1C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000092329113 332125832 /nfs/dbraw/zinc/12/58/32/332125832.db2.gz AOADPUUALVESFV-MRVPVSSYSA-N 1 2 317.191 4.588 10 0 DJAELO C[C@@H](c1ccco1)[N@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173583156 337136670 /nfs/dbraw/zinc/13/66/70/337136670.db2.gz WCMFTYKRTSBICY-LBPRGKRZSA-N 1 2 316.788 4.781 10 0 DJAELO C[C@@H](c1ccco1)[N@@H+](C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173583156 337136671 /nfs/dbraw/zinc/13/66/71/337136671.db2.gz WCMFTYKRTSBICY-LBPRGKRZSA-N 1 2 316.788 4.781 10 0 DJAELO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(Cl)c1 ZINC000185823903 337250609 /nfs/dbraw/zinc/25/06/09/337250609.db2.gz ZILGLJSPIACETE-AWEZNQCLSA-N 1 2 323.827 4.648 10 0 DJAELO Fc1cccc2c1[C@H](C[C@@H](F)C1CCCCC1)n1c[nH+]cc1-2 ZINC000584638951 337379635 /nfs/dbraw/zinc/37/96/35/337379635.db2.gz OHWIXLJBJCDWBA-CVEARBPZSA-N 1 2 302.368 4.901 10 0 DJAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccccn1 ZINC000035790700 337745602 /nfs/dbraw/zinc/74/56/02/337745602.db2.gz DHCGCRZOWGCLFU-ZJUUUORDSA-N 1 2 313.203 4.939 10 0 DJAELO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1c(Cl)ccc(F)c1Cl ZINC000035790819 337745670 /nfs/dbraw/zinc/74/56/70/337745670.db2.gz CFDSEEFULGAEPR-VHSXEESVSA-N 1 2 313.203 4.939 10 0 DJAELO CCCOc1ccc(Cn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000006311310 181328520 /nfs/dbraw/zinc/32/85/20/181328520.db2.gz VXDZNOYNSQEBAE-UHFFFAOYSA-N 1 2 308.425 4.997 10 0 DJAELO Nc1ccc(Cl)c(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000038033819 182973885 /nfs/dbraw/zinc/97/38/85/182973885.db2.gz LDJMPBDZXGFQNF-UHFFFAOYSA-N 1 2 304.180 4.867 10 0 DJAELO FC(F)(F)c1cccc2c(NCCc3cccs3)cc[nH+]c21 ZINC000039963865 183025689 /nfs/dbraw/zinc/02/56/89/183025689.db2.gz GRIPQLIZSCJPBE-UHFFFAOYSA-N 1 2 322.355 4.970 10 0 DJAELO Cc1cc2[nH+]cn(CCOc3ccc(Cl)c(C)c3)c2cc1C ZINC000040224053 183046781 /nfs/dbraw/zinc/04/67/81/183046781.db2.gz KFOMTGCJIDXKMY-UHFFFAOYSA-N 1 2 314.816 4.694 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000040224662 183047195 /nfs/dbraw/zinc/04/71/95/183047195.db2.gz GZXAPGVIOSDBOM-UHFFFAOYSA-N 1 2 308.425 4.721 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040227372 183047897 /nfs/dbraw/zinc/04/78/97/183047897.db2.gz RQWBZLCWNFQHPC-UHFFFAOYSA-N 1 2 308.425 4.801 10 0 DJAELO CCCn1cc[nH+]c1CNc1c(Cl)cc(Cl)cc1Cl ZINC000061877545 184192260 /nfs/dbraw/zinc/19/22/60/184192260.db2.gz PYPGUXKSTIFEQX-UHFFFAOYSA-N 1 2 318.635 4.865 10 0 DJAELO CC(C)n1cc[nH+]c1CSCc1csc(C(C)(C)C)n1 ZINC000175292104 332883961 /nfs/dbraw/zinc/88/39/61/332883961.db2.gz ZCPMRCZLYYXTAE-UHFFFAOYSA-N 1 2 309.504 4.651 10 0 DJAELO FC(F)(F)c1cc[nH+]c(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000301509284 336311332 /nfs/dbraw/zinc/31/13/32/336311332.db2.gz DQLURHSVQTWBPE-WPRPVWTQSA-N 1 2 312.257 4.633 10 0 DJAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3Cl)o2)o1 ZINC000182591510 337189105 /nfs/dbraw/zinc/18/91/05/337189105.db2.gz LAPOENWWKKOEFS-GFCCVEGCSA-N 1 2 316.788 4.747 10 0 DJAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1Cl ZINC000185823019 337250566 /nfs/dbraw/zinc/25/05/66/337250566.db2.gz YXGAZOKTKJZRRI-CQSZACIVSA-N 1 2 323.827 4.648 10 0 DJAELO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1C ZINC000186061103 337253237 /nfs/dbraw/zinc/25/32/37/337253237.db2.gz CCVDRYAMOKNNNH-QGZVFWFLSA-N 1 2 317.436 4.611 10 0 DJAELO CCc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186053365 337253265 /nfs/dbraw/zinc/25/32/65/337253265.db2.gz JAJGDEUGXJKBIS-INIZCTEOSA-N 1 2 317.436 4.557 10 0 DJAELO C[C@@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cccnc1 ZINC000035790814 337745560 /nfs/dbraw/zinc/74/55/60/337745560.db2.gz CFDSEEFULGAEPR-ZJUUUORDSA-N 1 2 313.203 4.939 10 0 DJAELO Cc1ccc(C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)cn1 ZINC000062051068 340785928 /nfs/dbraw/zinc/78/59/28/340785928.db2.gz JKYRGSTWIHJVNB-JTQLQIEISA-N 1 2 313.203 4.687 10 0 DJAELO CC(C)=CC[N@H+]1Cc2c3c(ccc2Cl)[nH]c(=S)n3C[C@H]1C ZINC000005550920 181255950 /nfs/dbraw/zinc/25/59/50/181255950.db2.gz ZNFFMCYSMBXZQU-LLVKDONJSA-N 1 2 321.877 4.523 10 0 in-man DJAELO CC(C)=CC[N@@H+]1Cc2c3c(ccc2Cl)[nH]c(=S)n3C[C@H]1C ZINC000005550920 181255951 /nfs/dbraw/zinc/25/59/51/181255951.db2.gz ZNFFMCYSMBXZQU-LLVKDONJSA-N 1 2 321.877 4.523 10 0 in-man DJAELO CCCCCOc1ccc([NH2+]CCC(=O)c2ccccc2)cc1 ZINC000005792507 181284497 /nfs/dbraw/zinc/28/44/97/181284497.db2.gz BQPQIIORTCJIDW-UHFFFAOYSA-N 1 2 311.425 4.941 10 0 DJAELO Cc1cccc(C(=O)Nc2cc(C)[nH+]c3c(C)cc(C)cc23)c1 ZINC000040177085 183044495 /nfs/dbraw/zinc/04/44/95/183044495.db2.gz ZHMZTFLVHXIHFP-UHFFFAOYSA-N 1 2 304.393 4.721 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1c(C)cccc1C ZINC000040227391 183047924 /nfs/dbraw/zinc/04/79/24/183047924.db2.gz NIPRUJSAYSQISY-UHFFFAOYSA-N 1 2 308.425 4.685 10 0 DJAELO Cc1cccc(OCCn2c3ccccc3[nH+]c2C2CC2)c1C ZINC000040231603 183048691 /nfs/dbraw/zinc/04/86/91/183048691.db2.gz CKYPBDQIEDLPEA-UHFFFAOYSA-N 1 2 306.409 4.610 10 0 DJAELO Cc1cc(C)cc(OCCCn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000040231639 183048759 /nfs/dbraw/zinc/04/87/59/183048759.db2.gz BTPOJPSOXKVNHL-UHFFFAOYSA-N 1 2 320.436 5.000 10 0 DJAELO CCOCCn1c2cc(Cl)ccc2[nH+]c1C1CCCCC1 ZINC000040405130 183062419 /nfs/dbraw/zinc/06/24/19/183062419.db2.gz AGMMAPHOCUNJHD-UHFFFAOYSA-N 1 2 306.837 4.774 10 0 DJAELO COc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)c(OC)c1 ZINC000041055064 183158871 /nfs/dbraw/zinc/15/88/71/183158871.db2.gz PIKYCVORZRYGIA-UHFFFAOYSA-N 1 2 314.772 4.649 10 0 DJAELO Fc1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC000041055258 183160154 /nfs/dbraw/zinc/16/01/54/183160154.db2.gz HGMKDCVKQCQVKY-UHFFFAOYSA-N 1 2 317.161 4.880 10 0 DJAELO c1ccc2oc(Nc3ccc(Oc4cc[nH+]cc4)cc3)nc2c1 ZINC000065231367 184315800 /nfs/dbraw/zinc/31/58/00/184315800.db2.gz FCDPFKQDYGMGPC-UHFFFAOYSA-N 1 2 303.321 4.759 10 0 DJAELO CCc1cnc(C[NH2+][C@H](c2ccccc2)c2ccccc2C)s1 ZINC000180655879 333028543 /nfs/dbraw/zinc/02/85/43/333028543.db2.gz VHLPRVVQHKRCIX-HXUWFJFHSA-N 1 2 322.477 4.893 10 0 DJAELO Cc1nc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)oc1C ZINC000181426861 333030414 /nfs/dbraw/zinc/03/04/14/333030414.db2.gz BGUYXELYTVSQOH-OAHLLOKOSA-N 1 2 306.409 4.809 10 0 DJAELO Cc1cccc(C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)n1 ZINC000051574079 335750895 /nfs/dbraw/zinc/75/08/95/335750895.db2.gz OJKSICBKWQIFHV-SNVBAGLBSA-N 1 2 313.203 4.687 10 0 DJAELO Fc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430890 337164797 /nfs/dbraw/zinc/16/47/97/337164797.db2.gz LJFLBXSSZFBKQE-XLIONFOSSA-N 1 2 323.367 4.622 10 0 DJAELO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256407 337192605 /nfs/dbraw/zinc/19/26/05/337192605.db2.gz UECAABIBONNWJT-VLIAUNLRSA-N 1 2 324.374 4.800 10 0 DJAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1C ZINC000186061122 337253213 /nfs/dbraw/zinc/25/32/13/337253213.db2.gz CCVDRYAMOKNNNH-KRWDZBQOSA-N 1 2 317.436 4.611 10 0 DJAELO Fc1cccc2c1[C@@H](C[C@@H](F)C1CCCCC1)n1c[nH+]cc1-2 ZINC000584638956 337379710 /nfs/dbraw/zinc/37/97/10/337379710.db2.gz OHWIXLJBJCDWBA-HZPDHXFCSA-N 1 2 302.368 4.901 10 0 DJAELO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1nc(C2CCCC2)no1 ZINC000130911000 341053906 /nfs/dbraw/zinc/05/39/06/341053906.db2.gz IYQXZMALOASEEH-GFCCVEGCSA-N 1 2 319.836 4.574 10 0 DJAELO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C2CCCC2)no1 ZINC000130911000 341053907 /nfs/dbraw/zinc/05/39/07/341053907.db2.gz IYQXZMALOASEEH-GFCCVEGCSA-N 1 2 319.836 4.574 10 0 DJAELO Cc1nc(NC2CCCC2)c(-c2ccccc2C(F)(F)F)c[nH+]1 ZINC000090411366 185294726 /nfs/dbraw/zinc/29/47/26/185294726.db2.gz JGGANTRDZBAMLK-UHFFFAOYSA-N 1 2 321.346 4.825 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCCOc1c(C)cccc1C ZINC000040224713 183046949 /nfs/dbraw/zinc/04/69/49/183046949.db2.gz OAAMUTGXNPGTTE-UHFFFAOYSA-N 1 2 308.425 4.821 10 0 DJAELO COc1cccc(OCCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231301 183048070 /nfs/dbraw/zinc/04/80/70/183048070.db2.gz HCPLRURKLDIQIA-UHFFFAOYSA-N 1 2 324.424 4.637 10 0 DJAELO Cc1cccc(OCCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231299 183048089 /nfs/dbraw/zinc/04/80/89/183048089.db2.gz XUUXRQSWECHEJY-UHFFFAOYSA-N 1 2 308.425 4.937 10 0 DJAELO Cc1cc(C)cc(OCCn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000040231613 183048501 /nfs/dbraw/zinc/04/85/01/183048501.db2.gz IXKAXFMKGSOFAM-UHFFFAOYSA-N 1 2 306.409 4.610 10 0 DJAELO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)c1ccccc1 ZINC000040231574 183048605 /nfs/dbraw/zinc/04/86/05/183048605.db2.gz DXZMNHLDRGIXSS-UHFFFAOYSA-N 1 2 318.420 4.967 10 0 DJAELO COCCCn1c2cc(Cl)ccc2[nH+]c1C1CCCCC1 ZINC000040402830 183061725 /nfs/dbraw/zinc/06/17/25/183061725.db2.gz SAJTXDHIWWOCIS-UHFFFAOYSA-N 1 2 306.837 4.774 10 0 DJAELO c1coc(CNc2nc(NC3CCCCC3)[nH+]c3ccccc32)c1 ZINC000041151410 183178754 /nfs/dbraw/zinc/17/87/54/183178754.db2.gz DSWSFQCRGIJTME-UHFFFAOYSA-N 1 2 322.412 4.580 10 0 DJAELO CCc1nc(C[NH2+][C@@H](c2ccccc2)c2ccccc2C)cs1 ZINC000180502174 333028186 /nfs/dbraw/zinc/02/81/86/333028186.db2.gz LDHWFHMVPHNUTC-FQEVSTJZSA-N 1 2 322.477 4.893 10 0 DJAELO Cc1nc(C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)cs1 ZINC000040443784 333352940 /nfs/dbraw/zinc/35/29/40/333352940.db2.gz IVMGZLBWRLQJNY-ZETCQYMHSA-N 1 2 319.232 4.748 10 0 DJAELO CC(C)c1ccc([C@@H](C)[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669924 334268785 /nfs/dbraw/zinc/26/87/85/334268785.db2.gz WHOIPEZVSBLIPU-UZLBHIALSA-N 1 2 319.452 4.973 10 0 DJAELO COc1ccc(CSCc2[nH+]ccn2C(C)C)cc1Cl ZINC000179233598 335947839 /nfs/dbraw/zinc/94/78/39/335947839.db2.gz KHTULMKCIWKWSM-UHFFFAOYSA-N 1 2 310.850 4.559 10 0 DJAELO COc1cc2c(cc1OCc1ccccc1)C[C@H](C(C)(C)C)[NH+]=C2 ZINC000584606204 337371666 /nfs/dbraw/zinc/37/16/66/337371666.db2.gz NCUNTMKMPAEJOE-HXUWFJFHSA-N 1 2 323.436 4.664 10 0 DJAELO Fc1cccc2c1[C@@H](C[C@H](F)C1CCCCC1)n1c[nH+]cc1-2 ZINC000584638958 337379667 /nfs/dbraw/zinc/37/96/67/337379667.db2.gz OHWIXLJBJCDWBA-JKSUJKDBSA-N 1 2 302.368 4.901 10 0 DJAELO Fc1cc(-c2ccccc2)ccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000095940881 563931951 /nfs/dbraw/zinc/93/19/51/563931951.db2.gz CHZIPZQBHYPXHR-IBGZPJMESA-N 1 2 321.399 4.553 10 0 DJAELO Fc1cc(-c2ccccc2)ccc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000095940881 563931952 /nfs/dbraw/zinc/93/19/52/563931952.db2.gz CHZIPZQBHYPXHR-IBGZPJMESA-N 1 2 321.399 4.553 10 0 DJAELO Cc1cc2[nH]c(-c3ccccc3-c3[nH]cc[nH+]3)nc2cc1Cl ZINC000090484679 185298730 /nfs/dbraw/zinc/29/87/30/185298730.db2.gz SIXDHKHXPCLBDH-UHFFFAOYSA-N 1 2 308.772 4.582 10 0 DJAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccccc3C)c2c1 ZINC000040177091 183044085 /nfs/dbraw/zinc/04/40/85/183044085.db2.gz BHUJKJNVHUPORZ-UHFFFAOYSA-N 1 2 304.393 4.721 10 0 DJAELO Cc1cc2[nH+]cn(CCOc3ccc(C(C)C)cc3)c2cc1C ZINC000040224058 183047182 /nfs/dbraw/zinc/04/71/82/183047182.db2.gz LZONPQIPRBPNPM-UHFFFAOYSA-N 1 2 308.425 4.856 10 0 DJAELO Cc1ccc(C)c(OCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231240 183047890 /nfs/dbraw/zinc/04/78/90/183047890.db2.gz CGJIWWLZFLYLTD-UHFFFAOYSA-N 1 2 308.425 4.856 10 0 DJAELO COc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(OC)c1 ZINC000041055114 183159651 /nfs/dbraw/zinc/15/96/51/183159651.db2.gz JUMPMBIEWRMGTD-UHFFFAOYSA-N 1 2 314.772 4.649 10 0 DJAELO C[C@@H](Cc1ccc(Sc2ccccc2)cc1)Cn1cc[nH+]c1 ZINC000100356239 257232297 /nfs/dbraw/zinc/23/22/97/257232297.db2.gz REKLVIOPVFDASM-INIZCTEOSA-N 1 2 308.450 4.913 10 0 DJAELO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccccc1Cl ZINC000090803195 332034661 /nfs/dbraw/zinc/03/46/61/332034661.db2.gz YRTBCNMXPMPVIG-SECBINFHSA-N 1 2 300.711 4.927 10 0 DJAELO Cc1cnc(C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000177961022 332999663 /nfs/dbraw/zinc/99/96/63/332999663.db2.gz HCLWPMFPBRIKPX-QMMMGPOBSA-N 1 2 319.232 4.748 10 0 DJAELO Fc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430903 337164746 /nfs/dbraw/zinc/16/47/46/337164746.db2.gz LJFLBXSSZFBKQE-YLJYHZDGSA-N 1 2 323.367 4.622 10 0 DJAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc(Cl)c1 ZINC000185823926 337250520 /nfs/dbraw/zinc/25/05/20/337250520.db2.gz ZILGLJSPIACETE-CQSZACIVSA-N 1 2 323.827 4.648 10 0 DJAELO CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1F ZINC000186060856 337253225 /nfs/dbraw/zinc/25/32/25/337253225.db2.gz ZPRGSLOMKYFWQK-LJQANCHMSA-N 1 2 321.399 4.524 10 0 DJAELO C[C@@H]([NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)c1cccnc1 ZINC000035790823 337745606 /nfs/dbraw/zinc/74/56/06/337745606.db2.gz CFDSEEFULGAEPR-NXEZZACHSA-N 1 2 313.203 4.939 10 0 DJAELO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccc(F)cc1Cl ZINC000037231099 340777321 /nfs/dbraw/zinc/77/73/21/340777321.db2.gz LNQHMAVULRHXRZ-SNVBAGLBSA-N 1 2 320.820 4.940 10 0 DJAELO CC[C@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198964 522749934 /nfs/dbraw/zinc/74/99/34/522749934.db2.gz BKHBZJCCZDSGMI-HOTGVXAUSA-N 1 2 317.408 4.524 10 0 DJAELO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1nc(C2CC2)no1 ZINC000120052853 525612157 /nfs/dbraw/zinc/61/21/57/525612157.db2.gz XVPKMKPPHDMXOY-QWHCGFSZSA-N 1 2 307.397 4.512 10 0 DJAELO FC(F)(F)c1cccc2c(NNc3ccccc3)cc[nH+]c21 ZINC000039963819 183026047 /nfs/dbraw/zinc/02/60/47/183026047.db2.gz UHMPCXLZJYGWLN-UHFFFAOYSA-N 1 2 303.287 4.693 10 0 DJAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3cccc(F)c3)c2c1 ZINC000040177051 183044518 /nfs/dbraw/zinc/04/45/18/183044518.db2.gz GGBCTFLBLQHZBN-UHFFFAOYSA-N 1 2 308.356 4.551 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCCOc1cccc(C)c1C ZINC000040224709 183047054 /nfs/dbraw/zinc/04/70/54/183047054.db2.gz NYCFUXLPLONXQF-UHFFFAOYSA-N 1 2 308.425 4.821 10 0 DJAELO CCc1ccc(OCCCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000040224740 183047136 /nfs/dbraw/zinc/04/71/36/183047136.db2.gz BVCRIRRUXGLCFY-UHFFFAOYSA-N 1 2 308.425 4.766 10 0 DJAELO Fc1ccccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC000041055254 183160027 /nfs/dbraw/zinc/16/00/27/183160027.db2.gz AIBSUSDFKSCFAQ-UHFFFAOYSA-N 1 2 317.161 4.880 10 0 DJAELO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccc(Cl)cc1 ZINC000090803197 332034614 /nfs/dbraw/zinc/03/46/14/332034614.db2.gz GSUKHXISEHAOIK-SECBINFHSA-N 1 2 300.711 4.927 10 0 DJAELO Cc1ccc([C@H](C)[NH2+]Cc2csc(-c3ccc(F)cc3)n2)o1 ZINC000022742391 335117259 /nfs/dbraw/zinc/11/72/59/335117259.db2.gz HUXZDWRCMBNRTM-LBPRGKRZSA-N 1 2 316.401 4.701 10 0 DJAELO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1F ZINC000164951063 334686385 /nfs/dbraw/zinc/68/63/85/334686385.db2.gz XSYVCWYFFUKDQI-VLIAUNLRSA-N 1 2 324.374 4.800 10 0 DJAELO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3Cl)o2)o1 ZINC000182591524 337189068 /nfs/dbraw/zinc/18/90/68/337189068.db2.gz LAPOENWWKKOEFS-LBPRGKRZSA-N 1 2 316.788 4.747 10 0 DJAELO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256394 337192525 /nfs/dbraw/zinc/19/25/25/337192525.db2.gz UECAABIBONNWJT-XOBRGWDASA-N 1 2 324.374 4.800 10 0 DJAELO CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000127707212 519112272 /nfs/dbraw/zinc/11/22/72/519112272.db2.gz PQQPBRNDSNPPOD-ZDUSSCGKSA-N 1 2 321.515 4.624 10 0 DJAELO CC(C)(C)c1ncc(C[N@H+]2CCCC[C@H]2c2nccs2)s1 ZINC000127707212 519112281 /nfs/dbraw/zinc/11/22/81/519112281.db2.gz PQQPBRNDSNPPOD-ZDUSSCGKSA-N 1 2 321.515 4.624 10 0 DJAELO FC(F)(F)c1cccc2c(NCCc3ccccc3)cc[nH+]c21 ZINC000039963864 183025552 /nfs/dbraw/zinc/02/55/52/183025552.db2.gz KICVOXULRGPPFJ-UHFFFAOYSA-N 1 2 316.326 4.908 10 0 DJAELO FC(F)(F)c1cccc2c(NCc3ccccc3)cc[nH+]c21 ZINC000039963863 183025677 /nfs/dbraw/zinc/02/56/77/183025677.db2.gz NFAFRQXISPXDNC-UHFFFAOYSA-N 1 2 302.299 4.866 10 0 DJAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)/C=C/c3cccs3)c2c1 ZINC000040177079 183044448 /nfs/dbraw/zinc/04/44/48/183044448.db2.gz OPKFFCBJTLVERX-VOTSOKGWSA-N 1 2 322.433 4.873 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCOc1ccccc1C(C)C ZINC000040224674 183046743 /nfs/dbraw/zinc/04/67/43/183046743.db2.gz RPJCKXVMINIFPE-UHFFFAOYSA-N 1 2 308.425 4.937 10 0 DJAELO Cc1cccc(C)c1OCCn1c2ccccc2[nH+]c1C(C)C ZINC000040231242 183047726 /nfs/dbraw/zinc/04/77/26/183047726.db2.gz TWHSBKRXRBRWMC-UHFFFAOYSA-N 1 2 308.425 4.856 10 0 DJAELO Cc1cc(C)cc(OCCn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000040231259 183047999 /nfs/dbraw/zinc/04/79/99/183047999.db2.gz ZNTWIVJEOCGSCB-UHFFFAOYSA-N 1 2 308.425 4.856 10 0 DJAELO Cc1ncc(C[NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000040443786 132140828 /nfs/dbraw/zinc/14/08/28/132140828.db2.gz LKWOVXOZNGCAOY-ZETCQYMHSA-N 1 2 319.232 4.748 10 0 DJAELO CCn1cc[nH+]c1CSCc1csc(C2CCCCC2)n1 ZINC000175285989 332885139 /nfs/dbraw/zinc/88/51/39/332885139.db2.gz NXKQLDKFLQKPGV-UHFFFAOYSA-N 1 2 321.515 4.841 10 0 DJAELO FC(F)(F)c1cc[nH+]c(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000301509283 336311325 /nfs/dbraw/zinc/31/13/25/336311325.db2.gz DQLURHSVQTWBPE-WCBMZHEXSA-N 1 2 312.257 4.633 10 0 DJAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(Cl)cc1 ZINC000185825469 337250596 /nfs/dbraw/zinc/25/05/96/337250596.db2.gz MZJITWUTLDDPJM-CQSZACIVSA-N 1 2 323.827 4.648 10 0 DJAELO COc1cc2c(cc1OCc1ccccc1)C[C@@H](C(C)(C)C)[NH+]=C2 ZINC000584606203 337371647 /nfs/dbraw/zinc/37/16/47/337371647.db2.gz NCUNTMKMPAEJOE-FQEVSTJZSA-N 1 2 323.436 4.664 10 0 DJAELO Clc1ccc([C@@H]2c3ccccc3-c3[nH+]ccn32)cc1Cl ZINC000584639049 337379673 /nfs/dbraw/zinc/37/96/73/337379673.db2.gz WTUCWHNAKUZGRB-OAHLLOKOSA-N 1 2 301.176 4.808 10 0 DJAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cccnc1 ZINC000035790810 337745531 /nfs/dbraw/zinc/74/55/31/337745531.db2.gz CFDSEEFULGAEPR-UWVGGRQHSA-N 1 2 313.203 4.939 10 0 DJAELO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1c(Cl)ccc(F)c1Cl ZINC000035790705 337745680 /nfs/dbraw/zinc/74/56/80/337745680.db2.gz DHCGCRZOWGCLFU-VHSXEESVSA-N 1 2 313.203 4.939 10 0 DJAELO Cc1cccnc1C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000071339363 341030327 /nfs/dbraw/zinc/03/03/27/341030327.db2.gz KWWQWRQFSMYPJR-JTQLQIEISA-N 1 2 313.203 4.687 10 0 DJAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2csc(C3CC3)n2)o1 ZINC000135597238 341242635 /nfs/dbraw/zinc/24/26/35/341242635.db2.gz PMXDLDVJUXMCMK-OAHLLOKOSA-N 1 2 302.443 4.649 10 0 DJAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2csc(C3CC3)n2)o1 ZINC000135597238 341242636 /nfs/dbraw/zinc/24/26/36/341242636.db2.gz PMXDLDVJUXMCMK-OAHLLOKOSA-N 1 2 302.443 4.649 10 0 DJAELO CC[C@@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198990 522945293 /nfs/dbraw/zinc/94/52/93/522945293.db2.gz BKHBZJCCZDSGMI-CVEARBPZSA-N 1 2 317.408 4.524 10 0 DJAELO CC[C@@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897319 522945435 /nfs/dbraw/zinc/94/54/35/522945435.db2.gz HELWSVLGWDJXDY-CVEARBPZSA-N 1 2 317.408 4.524 10 0 DJAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc(C(F)(F)F)ccc3o2)o1 ZINC000182585864 525736730 /nfs/dbraw/zinc/73/67/30/525736730.db2.gz JURGOAZTXMQHFH-SNVBAGLBSA-N 1 2 324.302 4.599 10 0 DJAELO Clc1cccc([C@@H](c2ccnc3ccccc32)n2cc[nH+]c2)c1 ZINC000029135286 182553395 /nfs/dbraw/zinc/55/33/95/182553395.db2.gz FWPFVHKEQZWWIQ-IBGZPJMESA-N 1 2 319.795 4.722 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCOc1ccc(C(C)C)cc1 ZINC000040224693 183046836 /nfs/dbraw/zinc/04/68/36/183046836.db2.gz KLDKGSWAJYPLQO-UHFFFAOYSA-N 1 2 308.425 4.937 10 0 DJAELO Cc1[nH+]c2ccccc2n1CCCCOc1ccc(C)cc1C ZINC000040224711 183047093 /nfs/dbraw/zinc/04/70/93/183047093.db2.gz KJBZQHMGNHSFLF-UHFFFAOYSA-N 1 2 308.425 4.821 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1cc(C)ccc1C ZINC000040227393 183047569 /nfs/dbraw/zinc/04/75/69/183047569.db2.gz UMZBRYLQPXUURL-UHFFFAOYSA-N 1 2 308.425 4.685 10 0 DJAELO CCc1ccc(OCCn2c3ccccc3[nH+]c2C(C)C)cc1 ZINC000040231265 183048034 /nfs/dbraw/zinc/04/80/34/183048034.db2.gz PSPLRNMPAOZLDV-UHFFFAOYSA-N 1 2 308.425 4.801 10 0 DJAELO CC(C)(C)c1[nH+]c2ccccc2n1CCCOc1ccccc1 ZINC000040239243 183048596 /nfs/dbraw/zinc/04/85/96/183048596.db2.gz LPTTXCMMZNNNLX-UHFFFAOYSA-N 1 2 308.425 4.803 10 0 DJAELO Cc1ccc(C)c(-c2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000040383944 183059204 /nfs/dbraw/zinc/05/92/04/183059204.db2.gz YFVNIMLVUCBXLL-UHFFFAOYSA-N 1 2 315.214 4.689 10 0 DJAELO COc1ccc(OC)c(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000041055055 183159442 /nfs/dbraw/zinc/15/94/42/183159442.db2.gz FUZPPYLWWLLKHX-UHFFFAOYSA-N 1 2 314.772 4.649 10 0 DJAELO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccc(Cl)cc1 ZINC000090803196 332034694 /nfs/dbraw/zinc/03/46/94/332034694.db2.gz GSUKHXISEHAOIK-VIFPVBQESA-N 1 2 300.711 4.927 10 0 DJAELO CC(C)c1ccc([C@H](C)[NH2+]Cc2nc(C3CCCC3)no2)cc1 ZINC000178745207 333019398 /nfs/dbraw/zinc/01/93/98/333019398.db2.gz MULLYUVDRWWPMS-AWEZNQCLSA-N 1 2 313.445 4.701 10 0 DJAELO CCc1nc(C[NH2+][C@H](c2ccccc2)c2ccccc2C)cs1 ZINC000180502189 333028138 /nfs/dbraw/zinc/02/81/38/333028138.db2.gz LDHWFHMVPHNUTC-HXUWFJFHSA-N 1 2 322.477 4.893 10 0 DJAELO Cc1ccc(C[NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)o1 ZINC000048327232 333585430 /nfs/dbraw/zinc/58/54/30/333585430.db2.gz MAWHDQVDJIMMKD-SECBINFHSA-N 1 2 302.176 4.885 10 0 DJAELO CC(C)c1ccc([C@H](C)[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669975 334268801 /nfs/dbraw/zinc/26/88/01/334268801.db2.gz WHOIPEZVSBLIPU-OXJNMPFZSA-N 1 2 319.452 4.973 10 0 DJAELO CC(C)c1ccc([C@H](C)[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669941 334268838 /nfs/dbraw/zinc/26/88/38/334268838.db2.gz WHOIPEZVSBLIPU-JXFKEZNVSA-N 1 2 319.452 4.973 10 0 DJAELO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1F ZINC000164951308 334686376 /nfs/dbraw/zinc/68/63/76/334686376.db2.gz XSYVCWYFFUKDQI-JLTOFOAXSA-N 1 2 324.374 4.800 10 0 DJAELO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1cc2cc(Cl)ccc2o1 ZINC000301274429 336298138 /nfs/dbraw/zinc/29/81/38/336298138.db2.gz LGQZLSAIDCWAJF-JTQLQIEISA-N 1 2 313.788 4.927 10 0 DJAELO FC(F)(F)c1cc[nH+]c(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000301508681 336311337 /nfs/dbraw/zinc/31/13/37/336311337.db2.gz DQLURHSVQTWBPE-PSASIEDQSA-N 1 2 312.257 4.633 10 0 DJAELO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000301510006 336311528 /nfs/dbraw/zinc/31/15/28/336311528.db2.gz DWBAXWJQKCFOAR-MRVPVSSYSA-N 1 2 302.246 4.552 10 0 DJAELO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430926 337164780 /nfs/dbraw/zinc/16/47/80/337164780.db2.gz LJFLBXSSZFBKQE-FXAWDEMLSA-N 1 2 323.367 4.622 10 0 DJAELO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1F ZINC000178607326 337165375 /nfs/dbraw/zinc/16/53/75/337165375.db2.gz UAAMXYQHSFUKEU-VBKZILBWSA-N 1 2 324.374 4.800 10 0 DJAELO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256447 337192523 /nfs/dbraw/zinc/19/25/23/337192523.db2.gz UECAABIBONNWJT-JLTOFOAXSA-N 1 2 324.374 4.800 10 0 DJAELO C[C@H](c1ccc(F)cc1)n1c[nH+]cc1-c1cccc2cnccc21 ZINC000584606150 337371739 /nfs/dbraw/zinc/37/17/39/337371739.db2.gz HEXXTSHTWDUUQU-CQSZACIVSA-N 1 2 317.367 4.847 10 0 DJAELO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3c(C)c2Cl)o1 ZINC000193647915 340580890 /nfs/dbraw/zinc/58/08/90/340580890.db2.gz TVFRCWBBNNKNCS-CYBMUJFWSA-N 1 2 314.816 4.949 10 0 DJAELO Cc1cnc([C@H](C)[NH2+]Cc2sc3ccccc3c2Cl)o1 ZINC000230641730 340620399 /nfs/dbraw/zinc/62/03/99/340620399.db2.gz MDQLCCLZYVEVOT-JTQLQIEISA-N 1 2 306.818 4.702 10 0 DJAELO Cc1nc(C[NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)oc1C ZINC000181739958 526893421 /nfs/dbraw/zinc/89/34/21/526893421.db2.gz XKIRBZBWAWOWJK-OAHLLOKOSA-N 1 2 316.445 4.567 10 0 DJAELO Cc1cc(C)cc(OCCCn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000040224087 183046916 /nfs/dbraw/zinc/04/69/16/183046916.db2.gz XJNXXDYTEVJFHX-UHFFFAOYSA-N 1 2 308.425 4.739 10 0 DJAELO CCc1[nH+]c2ccccc2n1CCCOc1ccc(C)cc1C ZINC000040227389 183047879 /nfs/dbraw/zinc/04/78/79/183047879.db2.gz RALDPDXZDPBBFL-UHFFFAOYSA-N 1 2 308.425 4.685 10 0 DJAELO Cc1cc(Cl)cn2cc(-c3cccc(Br)c3)[nH+]c12 ZINC000040383806 183059632 /nfs/dbraw/zinc/05/96/32/183059632.db2.gz SOFNPIBQKRNIRA-UHFFFAOYSA-N 1 2 321.605 4.726 10 0 DJAELO Cc1noc(C)c1C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000092329111 332125840 /nfs/dbraw/zinc/12/58/40/332125840.db2.gz AOADPUUALVESFV-QMMMGPOBSA-N 1 2 317.191 4.588 10 0 DJAELO CCc1cnc([C@H](C)Nc2cc(C)[nH+]c3c(F)cccc23)s1 ZINC000301666725 336322004 /nfs/dbraw/zinc/32/20/04/336322004.db2.gz LXFGPOGUJDEKLD-NSHDSACASA-N 1 2 315.417 4.874 10 0 DJAELO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256427 337192671 /nfs/dbraw/zinc/19/26/71/337192671.db2.gz UECAABIBONNWJT-VBKZILBWSA-N 1 2 324.374 4.800 10 0 DJAELO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1 ZINC000186060321 337253167 /nfs/dbraw/zinc/25/31/67/337253167.db2.gz GOITXTRHEVSALO-KRWDZBQOSA-N 1 2 317.436 4.611 10 0 DJAELO CC(C)(C)c1ncc(C[N@@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000127706992 519113155 /nfs/dbraw/zinc/11/31/55/519113155.db2.gz PQQPBRNDSNPPOD-CYBMUJFWSA-N 1 2 321.515 4.624 10 0 DJAELO CC(C)(C)c1ncc(C[N@H+]2CCCC[C@@H]2c2nccs2)s1 ZINC000127706992 519113156 /nfs/dbraw/zinc/11/31/56/519113156.db2.gz PQQPBRNDSNPPOD-CYBMUJFWSA-N 1 2 321.515 4.624 10 0 DJAELO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)c1ncc(C(C)(C)C)o1 ZINC000177412084 525659724 /nfs/dbraw/zinc/65/97/24/525659724.db2.gz XAKDNEACFWPXPR-GHMZBOCLSA-N 1 2 308.372 4.662 10 0 DJAELO