smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000000855229 555571100 /nfs/dbraw/zinc/57/11/00/555571100.db2.gz PAZZQJRWMALTAX-SFHVURJKSA-N 0 3 445.497 0.975 50 0 ICAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000002601709 562928299 /nfs/dbraw/zinc/92/82/99/562928299.db2.gz NMAWGEXAOBMXFJ-UHFFFAOYSA-N 0 3 447.561 0.864 50 0 ICAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000002952203 556151609 /nfs/dbraw/zinc/15/16/09/556151609.db2.gz AQSFEDGJKUNKBP-UHFFFAOYSA-N 0 3 441.532 0.802 50 0 ICAAHN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@H]2CNC(=O)C(=O)NCCN(C)C)c(C)c1 ZINC000003017114 556158541 /nfs/dbraw/zinc/15/85/41/556158541.db2.gz XUPNVRVNTQOHLU-KRWDZBQOSA-N 0 3 440.566 0.143 50 0 ICAAHN Cc1cc(C)c(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCN(C)C)c(C)c1 ZINC000003017117 556158594 /nfs/dbraw/zinc/15/85/94/556158594.db2.gz XUPNVRVNTQOHLU-QGZVFWFLSA-N 0 3 440.566 0.143 50 0 ICAAHN CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 ZINC000004102499 555962537 /nfs/dbraw/zinc/96/25/37/555962537.db2.gz LQQXJUVZDIYRQI-ZDUSSCGKSA-N 0 3 436.900 0.490 50 0 ICAAHN CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000004102500 555962624 /nfs/dbraw/zinc/96/26/24/555962624.db2.gz LQQXJUVZDIYRQI-CYBMUJFWSA-N 0 3 436.900 0.490 50 0 ICAAHN COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1 ZINC000004177118 555973768 /nfs/dbraw/zinc/97/37/68/555973768.db2.gz ZYEJBPXVLNHPMM-GOSISDBHSA-N 0 3 442.516 0.911 50 0 ICAAHN COCCn1c(N2CCN(CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316557 555986237 /nfs/dbraw/zinc/98/62/37/555986237.db2.gz SIFBSTUDNGBGPD-UHFFFAOYSA-N 0 3 426.521 0.825 50 0 ICAAHN CN(C)CCNC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1 ZINC000004672381 556869795 /nfs/dbraw/zinc/86/97/95/556869795.db2.gz ZEFNKHRPWNIWRV-UHFFFAOYSA-N 0 3 427.640 0.825 50 0 ICAAHN Cc1ccccc1OC[C@H](O)Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000005356501 556047592 /nfs/dbraw/zinc/04/75/92/556047592.db2.gz HDTFOVNDAVOWAY-OAHLLOKOSA-N 0 3 430.509 0.156 50 0 ICAAHN Cc1ccccc1OC[C@@H](O)Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000005356506 556047689 /nfs/dbraw/zinc/04/76/89/556047689.db2.gz HDTFOVNDAVOWAY-HNNXBMFYSA-N 0 3 430.509 0.156 50 0 ICAAHN COC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000006172793 556079285 /nfs/dbraw/zinc/07/92/85/556079285.db2.gz LCQGYLNDPZADMN-KRWDZBQOSA-N 0 3 431.470 0.585 50 0 ICAAHN COc1ccc([C@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)N2CCCC2)cc1 ZINC000008895047 569483737 /nfs/dbraw/zinc/48/37/37/569483737.db2.gz PHEVIJIHHKZTPB-KRWDZBQOSA-N 0 3 440.504 0.396 50 0 ICAAHN COc1ccc([C@@H](CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)N2CCCC2)cc1 ZINC000008895053 569483734 /nfs/dbraw/zinc/48/37/34/569483734.db2.gz PHEVIJIHHKZTPB-QGZVFWFLSA-N 0 3 440.504 0.396 50 0 ICAAHN C[C@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCCN(C)C ZINC000009049243 569498560 /nfs/dbraw/zinc/49/85/60/569498560.db2.gz MYDATDZTIWBKGD-AOCRQIFASA-N 0 3 438.594 0.954 50 0 ICAAHN Cc1cccc(OC[C@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009292724 569520109 /nfs/dbraw/zinc/52/01/09/569520109.db2.gz UMFDOIUIDIEDBD-OAHLLOKOSA-N 0 3 430.509 0.156 50 0 ICAAHN Cc1cccc(OC[C@@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000009292725 569520065 /nfs/dbraw/zinc/52/00/65/569520065.db2.gz UMFDOIUIDIEDBD-HNNXBMFYSA-N 0 3 430.509 0.156 50 0 ICAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@@]12c1ccccc1N(C)C2=O ZINC000009410068 569531257 /nfs/dbraw/zinc/53/12/57/569531257.db2.gz ZUYKACVALMJBLW-QHCPKHFHSA-N 0 3 438.484 0.717 50 0 ICAAHN COC(=O)C1=C(N)Oc2cc(C)n(CCN(C)C)c(=O)c2[C@]12c1ccccc1N(C)C2=O ZINC000009410069 569531278 /nfs/dbraw/zinc/53/12/78/569531278.db2.gz ZUYKACVALMJBLW-HSZRJFAPSA-N 0 3 438.484 0.717 50 0 ICAAHN COc1cc(C(=O)NCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OC)c1OC ZINC000009410799 569531490 /nfs/dbraw/zinc/53/14/90/569531490.db2.gz UGZMJYRFHVUSAF-UHFFFAOYSA-N 0 3 443.504 0.829 50 0 ICAAHN CCN(CC)CCNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009600427 562973960 /nfs/dbraw/zinc/97/39/60/562973960.db2.gz IKOARPKQRQVVNL-MRXNPFEDSA-N 0 3 446.957 0.261 50 0 ICAAHN CCN(CC)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000009600428 562973948 /nfs/dbraw/zinc/97/39/48/562973948.db2.gz IKOARPKQRQVVNL-INIZCTEOSA-N 0 3 446.957 0.261 50 0 ICAAHN O=C(CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn21)NCCN1CCCC1 ZINC000009745584 132328324 /nfs/dbraw/zinc/32/83/24/132328324.db2.gz WKBWNTWHHGIKFD-UHFFFAOYSA-N 0 3 429.525 0.612 50 0 ICAAHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)NCCN(C)C ZINC000009749703 569565991 /nfs/dbraw/zinc/56/59/91/569565991.db2.gz APBOSWMEMLMUST-QGZVFWFLSA-N 0 3 442.557 0.861 50 0 ICAAHN Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1CCNC(=O)C(=O)NCCN(C)C ZINC000009749709 569565977 /nfs/dbraw/zinc/56/59/77/569565977.db2.gz APBOSWMEMLMUST-KRWDZBQOSA-N 0 3 442.557 0.861 50 0 ICAAHN CN1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)Cc3ccccc3)CC1)C2=O ZINC000009794592 569568411 /nfs/dbraw/zinc/56/84/11/569568411.db2.gz BYVICELQKLWGPP-UHFFFAOYSA-N 0 3 435.550 0.108 50 0 ICAAHN CCN(CC)CCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000009806497 568884232 /nfs/dbraw/zinc/88/42/32/568884232.db2.gz RXHBCJWRFUAHPE-INIZCTEOSA-N 0 3 440.566 0.423 50 0 ICAAHN CCN(CC)CCNC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000009806503 569568955 /nfs/dbraw/zinc/56/89/55/569568955.db2.gz RXHBCJWRFUAHPE-MRXNPFEDSA-N 0 3 440.566 0.423 50 0 ICAAHN Cc1ccc(OC[C@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009849206 569571314 /nfs/dbraw/zinc/57/13/14/569571314.db2.gz WYVPTXILTCJEOC-OAHLLOKOSA-N 0 3 430.509 0.156 50 0 ICAAHN Cc1ccc(OC[C@@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000009849207 569571282 /nfs/dbraw/zinc/57/12/82/569571282.db2.gz WYVPTXILTCJEOC-HNNXBMFYSA-N 0 3 430.509 0.156 50 0 ICAAHN Cc1ccc(OC[C@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1C ZINC000010385451 569154395 /nfs/dbraw/zinc/15/43/95/569154395.db2.gz VWNKYILDWBAXEJ-MRXNPFEDSA-N 0 3 444.536 0.464 50 0 ICAAHN Cc1ccc(OC[C@@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1C ZINC000010385457 569154430 /nfs/dbraw/zinc/15/44/30/569154430.db2.gz VWNKYILDWBAXEJ-INIZCTEOSA-N 0 3 444.536 0.464 50 0 ICAAHN COCCN1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000011814823 556658200 /nfs/dbraw/zinc/65/82/00/556658200.db2.gz PWSIZQNYJVHIHE-DEOSSOPVSA-N 0 3 444.576 0.734 50 0 ICAAHN COCCN1CCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000011814824 556658195 /nfs/dbraw/zinc/65/81/95/556658195.db2.gz PWSIZQNYJVHIHE-XMMPIXPASA-N 0 3 444.576 0.734 50 0 ICAAHN COC(=O)[C@@H]1CCCN1C(=O)C[C@@]1(c2ccccc2F)CC(=O)N(CCN(C)C)C1=O ZINC000011975414 556383247 /nfs/dbraw/zinc/38/32/47/556383247.db2.gz LWQNJPDBIAPGTR-JTSKRJEESA-N 0 3 433.480 0.938 50 0 ICAAHN COC(=O)[C@@H]1CCCN1C(=O)C[C@]1(c2ccccc2F)CC(=O)N(CCN(C)C)C1=O ZINC000011975419 556383193 /nfs/dbraw/zinc/38/31/93/556383193.db2.gz LWQNJPDBIAPGTR-HTAPYJJXSA-N 0 3 433.480 0.938 50 0 ICAAHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC ZINC000011998473 556385001 /nfs/dbraw/zinc/38/50/01/556385001.db2.gz PRMJJKDEYSAAEM-ZDUSSCGKSA-N 0 3 433.552 0.770 50 0 ICAAHN CCN(CC)[C@H](C)CNS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC ZINC000011998476 556384994 /nfs/dbraw/zinc/38/49/94/556384994.db2.gz PRMJJKDEYSAAEM-CYBMUJFWSA-N 0 3 433.552 0.770 50 0 ICAAHN NC(=O)C1(N2CCCCC2)CCN([C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000012375149 526848561 /nfs/dbraw/zinc/84/85/61/526848561.db2.gz PFGSHPLYTKTLTI-INIZCTEOSA-N 0 3 428.489 0.853 50 0 ICAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCCN3CCOC3=O)c2)CC1 ZINC000012385389 522917576 /nfs/dbraw/zinc/91/75/76/522917576.db2.gz BYSGBGPXBFOOFK-LJQANCHMSA-N 0 3 435.521 0.853 50 0 ICAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCCN3CCOC3=O)c2)CC1 ZINC000012385390 522917158 /nfs/dbraw/zinc/91/71/58/522917158.db2.gz BYSGBGPXBFOOFK-IBGZPJMESA-N 0 3 435.521 0.853 50 0 ICAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)cc1OC ZINC000012387041 523940525 /nfs/dbraw/zinc/94/05/25/523940525.db2.gz XGCPPQCXLQLTCK-QGZVFWFLSA-N 0 3 444.532 0.880 50 0 ICAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C2)cc1OC ZINC000012387042 523941229 /nfs/dbraw/zinc/94/12/29/523941229.db2.gz XGCPPQCXLQLTCK-KRWDZBQOSA-N 0 3 444.532 0.880 50 0 ICAAHN O=C(C[C@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCCCCN1CCOCC1 ZINC000012431908 527151551 /nfs/dbraw/zinc/15/15/51/527151551.db2.gz LXJJEAIROVQKRS-QFIPXVFZSA-N 0 3 428.577 0.963 50 0 ICAAHN O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCCCCN1CCOCC1 ZINC000012431909 527100274 /nfs/dbraw/zinc/10/02/74/527100274.db2.gz LXJJEAIROVQKRS-JOCHJYFZSA-N 0 3 428.577 0.963 50 0 ICAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCCN3CCOC3=O)cc2)CC1 ZINC000012459098 522916825 /nfs/dbraw/zinc/91/68/25/522916825.db2.gz VODSOOVXXQYFQF-LJQANCHMSA-N 0 3 435.521 0.853 50 0 ICAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCCN3CCOC3=O)cc2)CC1 ZINC000012459099 522914352 /nfs/dbraw/zinc/91/43/52/522914352.db2.gz VODSOOVXXQYFQF-IBGZPJMESA-N 0 3 435.521 0.853 50 0 ICAAHN COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2CCN(CCO)CC2)cc(OC)c1 ZINC000012479798 522385445 /nfs/dbraw/zinc/38/54/45/522385445.db2.gz YFZFHHVXLOGAEX-NRFANRHFSA-N 0 3 448.564 0.215 50 0 ICAAHN COc1cc(CN2CCNC(=O)[C@H]2CC(=O)NCC2CCN(CCO)CC2)cc(OC)c1 ZINC000012479804 522386581 /nfs/dbraw/zinc/38/65/81/522386581.db2.gz YFZFHHVXLOGAEX-OAQYLSRUSA-N 0 3 448.564 0.215 50 0 ICAAHN O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCN(c2ccncc2)CC1 ZINC000012781560 526885194 /nfs/dbraw/zinc/88/51/94/526885194.db2.gz NBFXYWGDSIXUPK-UHFFFAOYSA-N 0 3 432.502 0.870 50 0 ICAAHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CSC3=NCCN3)CC2)cc1OC ZINC000012821304 568830709 /nfs/dbraw/zinc/83/07/09/568830709.db2.gz OPLNYOCMRAYPMW-UHFFFAOYSA-N 0 3 428.536 0.229 50 0 ICAAHN CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000013010592 556435698 /nfs/dbraw/zinc/43/56/98/556435698.db2.gz GDOOABQBCNQJLW-IBGZPJMESA-N 0 3 430.530 0.840 50 0 ICAAHN CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 ZINC000013010594 556435670 /nfs/dbraw/zinc/43/56/70/556435670.db2.gz GDOOABQBCNQJLW-LJQANCHMSA-N 0 3 430.530 0.840 50 0 ICAAHN Cc1cc(OCC(=O)N2CCN(CC(=O)NCCN(C)C)CC2)c2c(C)cc(=O)oc2c1 ZINC000013624023 556536580 /nfs/dbraw/zinc/53/65/80/556536580.db2.gz ZNJQNRCQXBLMIQ-UHFFFAOYSA-N 0 3 444.532 0.611 50 0 ICAAHN COc1cc(CNCCSc2nnnn2C)cc(Br)c1OCC(N)=O ZINC000013731704 556296141 /nfs/dbraw/zinc/29/61/41/556296141.db2.gz NYAFFOKTQAFVKJ-UHFFFAOYSA-N 0 3 431.316 0.727 50 0 ICAAHN CN1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3cccs3)CC1)C2=O ZINC000014245679 556405556 /nfs/dbraw/zinc/40/55/56/556405556.db2.gz JRPIOASMPVRLMC-UHFFFAOYSA-N 0 3 427.552 0.028 50 0 ICAAHN O=C(Cn1nnnc1CN1CCOCC1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000014977254 556469213 /nfs/dbraw/zinc/46/92/13/556469213.db2.gz LFJSNENZNVFQTA-UHFFFAOYSA-N 0 3 425.537 0.207 50 0 ICAAHN O=C([C@@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC(N2CCSCC2)CC1 ZINC000015074469 556498494 /nfs/dbraw/zinc/49/84/94/556498494.db2.gz AAFAPWMCNJKKNI-LJQANCHMSA-N 0 3 438.638 0.987 50 0 ICAAHN O=C([C@H]1CCC(=O)N(CCCN2CCOCC2)C1)N1CCC(N2CCSCC2)CC1 ZINC000015074470 556498445 /nfs/dbraw/zinc/49/84/45/556498445.db2.gz AAFAPWMCNJKKNI-IBGZPJMESA-N 0 3 438.638 0.987 50 0 ICAAHN CC1=C(C(=O)NCCN(C)C)C2(CCN(S(=O)(=O)c3cccs3)CC2)OC1=O ZINC000015731375 568814757 /nfs/dbraw/zinc/81/47/57/568814757.db2.gz BKEUHOHSFRXEOS-UHFFFAOYSA-N 0 3 427.548 0.823 50 0 biogenic ICAAHN CCOc1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)CCN2CCCC2)cc1 ZINC000015862658 521190308 /nfs/dbraw/zinc/19/03/08/521190308.db2.gz XSTVDXYLVRSYPN-UHFFFAOYSA-N 0 3 438.594 0.994 50 0 ICAAHN CCN1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015862686 568849098 /nfs/dbraw/zinc/84/90/98/568849098.db2.gz XNHRFHKDWHTKHV-GOSISDBHSA-N 0 3 438.594 0.992 50 0 ICAAHN CCN1CCC[C@H]1CN(CCC(=O)N1CCNCC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000015862687 568849072 /nfs/dbraw/zinc/84/90/72/568849072.db2.gz XNHRFHKDWHTKHV-SFHVURJKSA-N 0 3 438.594 0.992 50 0 ICAAHN COC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000018137102 556684728 /nfs/dbraw/zinc/68/47/28/556684728.db2.gz LCQGYLNDPZADMN-QGZVFWFLSA-N 0 3 431.470 0.585 50 0 ICAAHN CCN1CCN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000019359805 569319025 /nfs/dbraw/zinc/31/90/25/569319025.db2.gz QYCLLTKWCDMVRR-UHFFFAOYSA-N 0 3 429.631 0.573 50 0 ICAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 ZINC000019782532 556914230 /nfs/dbraw/zinc/91/42/30/556914230.db2.gz PAZZQJRWMALTAX-GOSISDBHSA-N 0 3 445.497 0.975 50 0 ICAAHN CCc1ccc(OC[C@@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000019879899 556936927 /nfs/dbraw/zinc/93/69/27/556936927.db2.gz BHOGXUZUQXQXGH-HNNXBMFYSA-N 0 3 430.509 0.811 50 0 ICAAHN CCc1ccc(OC[C@H](O)Cn2c(NCCN(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000019879902 556936836 /nfs/dbraw/zinc/93/68/36/556936836.db2.gz BHOGXUZUQXQXGH-OAHLLOKOSA-N 0 3 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COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CCN(CCO)CC3)c2)CC1 ZINC000020452928 522917070 /nfs/dbraw/zinc/91/70/70/522917070.db2.gz XHFYDRJFRFMLKE-NRFANRHFSA-N 0 3 435.565 0.421 50 0 ICAAHN CCN1CCN(C[C@@H](O)COc2ccc(CNCCN3CCOC3=O)cc2OC)CC1 ZINC000020539271 521684916 /nfs/dbraw/zinc/68/49/16/521684916.db2.gz SZTBYPBCLJVZJQ-LJQANCHMSA-N 0 3 436.553 0.614 50 0 ICAAHN CCN1CCN(C[C@H](O)COc2ccc(CNCCN3CCOC3=O)cc2OC)CC1 ZINC000020539274 521686482 /nfs/dbraw/zinc/68/64/82/521686482.db2.gz SZTBYPBCLJVZJQ-IBGZPJMESA-N 0 3 436.553 0.614 50 0 ICAAHN COc1ccc(CNCCN2CCCCC2=O)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020539934 524070573 /nfs/dbraw/zinc/07/05/73/524070573.db2.gz LOJKWBBWCUNVCZ-FQEVSTJZSA-N 0 3 434.581 0.784 50 0 ICAAHN COc1ccc(CNCCN2CCCCC2=O)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000020539937 524070314 /nfs/dbraw/zinc/07/03/14/524070314.db2.gz LOJKWBBWCUNVCZ-HXUWFJFHSA-N 0 3 434.581 0.784 50 0 ICAAHN CC[C@@]1(c2ccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)cc2)CCC(=O)NC1=O ZINC000020678072 523747518 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