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Folder: atropisomers

d .. (parent)
- - rw-r--r-- 1,922 AtropManyChirals.sdf
- - rw-r--r-- 412 AtropManyChirals.sdf.expected.cxsmi
- - rw-r--r-- 1,394 AtropManyChirals.sdf.expected.sdf
- - rw-r--r-- 1,394 AtropManyChirals.sdf.expected2.sdf
- - rw-r--r-- 1,334 AtropManyChiralsEnhanced.sdf
- - rw-r--r-- 432 AtropManyChiralsEnhanced.sdf.expected.cxsmi
- - rw-r--r-- 1,518 AtropManyChiralsEnhanced.sdf.expected.sdf
- - rw-r--r-- 1,518 AtropManyChiralsEnhanced.sdf.expected2.sdf
- - rw-r--r-- 1,333 AtropManyChiralsEnhanced2.sdf
- - rw-r--r-- 431 AtropManyChiralsEnhanced2.sdf.expected.cxsmi
- - rw-r--r-- 1,517 AtropManyChiralsEnhanced2.sdf.expected.sdf
- - rw-r--r-- 1,517 AtropManyChiralsEnhanced2.sdf.expected2.sdf
- - rw-r--r-- 2,081 AtropTest.sdf
- - rw-r--r-- 673 AtropTest.sdf.expected.cxsmi
- - rw-r--r-- 2,498 AtropTest.sdf.expected.sdf
- - rw-r--r-- 2,492 AtropTest.sdf.expected2.sdf
- - rw-r--r-- 4,056 BMS-986142.sdf
- - rw-r--r-- 775 BMS-986142.sdf.expected.cxsmi
- - rw-r--r-- 2,784 BMS-986142.sdf.expected.sdf
- - rw-r--r-- 2,784 BMS-986142.sdf.expected2.sdf
- - rw-r--r-- 6,816 BMS-986142_3d.sdf
- - rw-r--r-- 1,856 BMS-986142_3d.sdf.expected.cxsmi
- - rw-r--r-- 4,634 BMS-986142_3d.sdf.expected.sdf
- - rw-r--r-- 4,634 BMS-986142_3d.sdf.expected2.sdf
- - rw-r--r-- 1,848 BMS-986142_3d.sdf.expectedArom.cxsmi
- - rw-r--r-- 6,888 BMS-986142_3d_chiral.sdf
- - rw-r--r-- 8,437 BMS-986142_3d_chiral.sdf.expected.cxsmi
- - rw-r--r-- 4,971 BMS-986142_3d_chiral.sdf.expected.sdf
- - rw-r--r-- 4,971 BMS-986142_3d_chiral.sdf.expected2.sdf
- - rw-r--r-- 8,428 BMS-986142_3d_chiral.sdf.expectedArom.cxsmi
- - rw-r--r-- 4,056 BMS-986142_atrop1.sdf
- - rw-r--r-- 783 BMS-986142_atrop1.sdf.expected.cxsmi
- - rw-r--r-- 2,790 BMS-986142_atrop1.sdf.expected.sdf
- - rw-r--r-- 2,790 BMS-986142_atrop1.sdf.expected2.sdf
- - rw-r--r-- 772 BMS-986142_atrop1.sdf.expectedArom.cxsmi
- - rw-r--r-- 4,056 BMS-986142_atrop2.sdf
- - rw-r--r-- 782 BMS-986142_atrop2.sdf.expected.cxsmi
- - rw-r--r-- 2,790 BMS-986142_atrop2.sdf.expected.sdf
- - rw-r--r-- 2,790 BMS-986142_atrop2.sdf.expected2.sdf
- - rw-r--r-- 4,056 BMS-986142_atrop3.sdf
- - rw-r--r-- 776 BMS-986142_atrop3.sdf.expected.cxsmi
- - rw-r--r-- 2,789 BMS-986142_atrop3.sdf.expected.sdf
- - rw-r--r-- 2,789 BMS-986142_atrop3.sdf.expected2.sdf
- - rw-r--r-- 4,056 BMS-986142_atrop4.sdf
- - rw-r--r-- 774 BMS-986142_atrop4.sdf.expected.cxsmi
- - rw-r--r-- 2,789 BMS-986142_atrop4.sdf.expected.sdf
- - rw-r--r-- 2,789 BMS-986142_atrop4.sdf.expected2.sdf
- - rw-r--r-- 4,056 BMS-986142_atrop5.sdf
- - rw-r--r-- 776 BMS-986142_atrop5.sdf.expected.cxsmi
- - rw-r--r-- 2,791 BMS-986142_atrop5.sdf.expected.sdf
- - rw-r--r-- 2,785 BMS-986142_atrop5.sdf.expected2.sdf
- - rw-r--r-- 4,056 BMS-986142_atrop6.sdf
- - rw-r--r-- 782 BMS-986142_atrop6.sdf.expected.cxsmi
- - rw-r--r-- 2,795 BMS-986142_atrop6.sdf.expected.sdf
- - rw-r--r-- 2,789 BMS-986142_atrop6.sdf.expected2.sdf
- - rw-r--r-- 4,056 BMS-986142_atrop7.sdf
- - rw-r--r-- 783 BMS-986142_atrop7.sdf.expected.cxsmi
- - rw-r--r-- 2,795 BMS-986142_atrop7.sdf.expected.sdf
- - rw-r--r-- 2,789 BMS-986142_atrop7.sdf.expected2.sdf
- - rw-r--r-- 4,056 BMS-986142_atrop8.sdf
- - rw-r--r-- 781 BMS-986142_atrop8.sdf.expected.cxsmi
- - rw-r--r-- 2,801 BMS-986142_atrop8.sdf.expected.sdf
- - rw-r--r-- 2,789 BMS-986142_atrop8.sdf.expected2.sdf
- - rw-r--r-- 2,342 BMS-986142_atropBad2.sdf
- - rw-r--r-- 776 BMS-986142_atropBad2.sdf.expected.cxsmi
- - rw-r--r-- 2,795 BMS-986142_atropBad2.sdf.expected.sdf
- - rw-r--r-- 2,783 BMS-986142_atropBad2.sdf.expected2.sdf
- - rw-r--r-- 3,710 JDQ443.sdf
- - rw-r--r-- 693 JDQ443.sdf.expected.cxsmi
- - rw-r--r-- 2,562 JDQ443.sdf.expected.sdf
- - rw-r--r-- 2,562 JDQ443.sdf.expected2.sdf
- - rw-r--r-- 6,286 JDQ443_3d.sdf
- - rw-r--r-- 1,760 JDQ443_3d.sdf.expected.cxsmi
- - rw-r--r-- 4,486 JDQ443_3d.sdf.expected.sdf
- - rw-r--r-- 4,486 JDQ443_3d.sdf.expected2.sdf
- - rw-r--r-- 3,710 JDQ443_atrop1.sdf
- - rw-r--r-- 684 JDQ443_atrop1.sdf.expected.cxsmi
- - rw-r--r-- 2,547 JDQ443_atrop1.sdf.expected.sdf
- - rw-r--r-- 2,547 JDQ443_atrop1.sdf.expected2.sdf
- - rw-r--r-- 3,710 JDQ443_atrop2.sdf
- - rw-r--r-- 707 JDQ443_atrop2.sdf.expected.cxsmi
- - rw-r--r-- 2,567 JDQ443_atrop2.sdf.expected.sdf
- - rw-r--r-- 2,567 JDQ443_atrop2.sdf.expected2.sdf
- - rw-r--r-- 3,710 JDQ443_atrop3.sdf
- - rw-r--r-- 706 JDQ443_atrop3.sdf.expected.cxsmi
- - rw-r--r-- 2,567 JDQ443_atrop3.sdf.expected.sdf
- - rw-r--r-- 2,567 JDQ443_atrop3.sdf.expected2.sdf
- - rw-r--r-- 3,710 JDQ443_atropBad1.sdf
- - rw-r--r-- 691 JDQ443_atropBad1.sdf.expected.cxsmi
- - rw-r--r-- 2,574 JDQ443_atropBad1.sdf.expected.sdf
- - rw-r--r-- 2,562 JDQ443_atropBad1.sdf.expected2.sdf
- - rw-r--r-- 3,206 Mrtx1719.sdf
- - rw-r--r-- 591 Mrtx1719.sdf.expected.cxsmi
- - rw-r--r-- 2,215 Mrtx1719.sdf.expected.sdf
- - rw-r--r-- 2,215 Mrtx1719.sdf.expected2.sdf
- - rw-r--r-- 4,862 Mrtx1719_3d.sdf
- - rw-r--r-- 1,279 Mrtx1719_3d.sdf.expected.cxsmi
- - rw-r--r-- 3,319 Mrtx1719_3d.sdf.expected.sdf
- - rw-r--r-- 3,319 Mrtx1719_3d.sdf.expected2.sdf
- - rw-r--r-- 3,206 Mrtx1719_atrop1.sdf
- - rw-r--r-- 598 Mrtx1719_atrop1.sdf.expected.cxsmi
- - rw-r--r-- 2,221 Mrtx1719_atrop1.sdf.expected.sdf
- - rw-r--r-- 2,221 Mrtx1719_atrop1.sdf.expected2.sdf
- - rw-r--r-- 3,206 Mrtx1719_atrop2.sdf
- - rw-r--r-- 597 Mrtx1719_atrop2.sdf.expected.cxsmi
- - rw-r--r-- 2,226 Mrtx1719_atrop2.sdf.expected.sdf
- - rw-r--r-- 2,226 Mrtx1719_atrop2.sdf.expected2.sdf
- - rw-r--r-- 3,206 Mrtx1719_atrop3.sdf
- - rw-r--r-- 597 Mrtx1719_atrop3.sdf.expected.cxsmi
- - rw-r--r-- 2,226 Mrtx1719_atrop3.sdf.expected.sdf
- - rw-r--r-- 2,226 Mrtx1719_atrop3.sdf.expected2.sdf
- - rw-r--r-- 3,206 Mrtx1719_atropBad1.sdf
- - rw-r--r-- 589 Mrtx1719_atropBad1.sdf.expected.cxsmi
- - rw-r--r-- 2,232 Mrtx1719_atropBad1.sdf.expected.sdf
- - rw-r--r-- 2,220 Mrtx1719_atropBad1.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306.sdf
- - rw-r--r-- 429 RP-6306.sdf.expected.cxsmi
- - rw-r--r-- 1,632 RP-6306.sdf.expected.sdf
- - rw-r--r-- 1,632 RP-6306.sdf.expected2.sdf
- - rw-r--r-- 4,174 RP-6306_3d.sdf
- - rw-r--r-- 1,119 RP-6306_3d.sdf.expected.cxsmi
- - rw-r--r-- 2,860 RP-6306_3d.sdf.expected.sdf
- - rw-r--r-- 2,860 RP-6306_3d.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306_atrop1.sdf
- - rw-r--r-- 436 RP-6306_atrop1.sdf.expected.cxsmi
- - rw-r--r-- 1,638 RP-6306_atrop1.sdf.expected.sdf
- - rw-r--r-- 1,638 RP-6306_atrop1.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306_atrop2.sdf
- - rw-r--r-- 436 RP-6306_atrop2.sdf.expected.cxsmi
- - rw-r--r-- 1,638 RP-6306_atrop2.sdf.expected.sdf
- - rw-r--r-- 1,638 RP-6306_atrop2.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306_atrop3.sdf
- - rw-r--r-- 437 RP-6306_atrop3.sdf.expected.cxsmi
- - rw-r--r-- 1,638 RP-6306_atrop3.sdf.expected.sdf
- - rw-r--r-- 1,638 RP-6306_atrop3.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306_atrop4.sdf
- - rw-r--r-- 434 RP-6306_atrop4.sdf.expected.cxsmi
- - rw-r--r-- 1,638 RP-6306_atrop4.sdf.expected.sdf
- - rw-r--r-- 1,638 RP-6306_atrop4.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306_atrop5.sdf
- - rw-r--r-- 442 RP-6306_atrop5.sdf.expected.cxsmi
- - rw-r--r-- 1,644 RP-6306_atrop5.sdf.expected.sdf
- - rw-r--r-- 1,638 RP-6306_atrop5.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306_atropBad1.sdf
- - rw-r--r-- 439 RP-6306_atropBad1.sdf.expected.cxsmi
- - rw-r--r-- 1,644 RP-6306_atropBad1.sdf.expected.sdf
- - rw-r--r-- 1,632 RP-6306_atropBad1.sdf.expected2.sdf
- - rw-r--r-- 2,334 RP-6306_atropBad2.sdf
- - rw-r--r-- 442 RP-6306_atropBad2.sdf.expected.cxsmi
- - rw-r--r-- 1,650 RP-6306_atropBad2.sdf.expected.sdf
- - rw-r--r-- 1,632 RP-6306_atropBad2.sdf.expected2.sdf
- - rw-r--r-- 1,771 ST-0023269.mol
- - rw-r--r-- 3,942 Sotorasib.sdf
- - rw-r--r-- 757 Sotorasib.sdf.expected.cxsmi
- - rw-r--r-- 2,707 Sotorasib.sdf.expected.sdf
- - rw-r--r-- 2,707 Sotorasib.sdf.expected2.sdf
- - rw-r--r-- 6,702 Sotorasib_3d.sdf
- - rw-r--r-- 1,804 Sotorasib_3d.sdf.expected.cxsmi
- - rw-r--r-- 4,542 Sotorasib_3d.sdf.expected.sdf
- - rw-r--r-- 4,542 Sotorasib_3d.sdf.expected2.sdf
- - rw-r--r-- 3,942 Sotorasib_atrop1.sdf
- - rw-r--r-- 752 Sotorasib_atrop1.sdf.expected.cxsmi
- - rw-r--r-- 2,699 Sotorasib_atrop1.sdf.expected.sdf
- - rw-r--r-- 2,699 Sotorasib_atrop1.sdf.expected2.sdf
- - rw-r--r-- 3,942 Sotorasib_atrop2.sdf
- - rw-r--r-- 741 Sotorasib_atrop2.sdf.expected.cxsmi
- - rw-r--r-- 2,699 Sotorasib_atrop2.sdf.expected.sdf
- - rw-r--r-- 2,699 Sotorasib_atrop2.sdf.expected2.sdf
- - rw-r--r-- 3,942 Sotorasib_atrop3.sdf
- - rw-r--r-- 744 Sotorasib_atrop3.sdf.expected.cxsmi
- - rw-r--r-- 2,699 Sotorasib_atrop3.sdf.expected.sdf
- - rw-r--r-- 2,699 Sotorasib_atrop3.sdf.expected2.sdf
- - rw-r--r-- 3,942 Sotorasib_atrop4.sdf
- - rw-r--r-- 741 Sotorasib_atrop4.sdf.expected.cxsmi
- - rw-r--r-- 2,699 Sotorasib_atrop4.sdf.expected.sdf
- - rw-r--r-- 2,699 Sotorasib_atrop4.sdf.expected2.sdf
- - rw-r--r-- 3,942 Sotorasib_atrop5.sdf
- - rw-r--r-- 750 Sotorasib_atrop5.sdf.expected.cxsmi
- - rw-r--r-- 2,705 Sotorasib_atrop5.sdf.expected.sdf
- - rw-r--r-- 2,699 Sotorasib_atrop5.sdf.expected2.sdf
- - rw-r--r-- 3,942 Sotorasib_atropBad1.sdf
- - rw-r--r-- 744 Sotorasib_atropBad1.sdf.expected.cxsmi
- - rw-r--r-- 2,705 Sotorasib_atropBad1.sdf.expected.sdf
- - rw-r--r-- 2,693 Sotorasib_atropBad1.sdf.expected2.sdf
- - rw-r--r-- 3,942 Sotorasib_atropBad2.sdf
- - rw-r--r-- 750 Sotorasib_atropBad2.sdf.expected.cxsmi
- - rw-r--r-- 2,705 Sotorasib_atropBad2.sdf.expected.sdf
- - rw-r--r-- 2,693 Sotorasib_atropBad2.sdf.expected2.sdf
- - rw-r--r-- 11,246 TestMultInSDF.sdf
- - rw-r--r-- 4,312 TestMultInSDF.sdf_1.sdf
- - rw-r--r-- 4,310 ZM374979.sdf
- - rw-r--r-- 820 ZM374979.sdf.expected.cxsmi
- - rw-r--r-- 2,937 ZM374979.sdf.expected.sdf
- - rw-r--r-- 2,937 ZM374979.sdf.expected2.sdf
- - rw-r--r-- 4,310 ZM374979_atrop1.sdf
- - rw-r--r-- 829 ZM374979_atrop1.sdf.expected.cxsmi
- - rw-r--r-- 2,943 ZM374979_atrop1.sdf.expected.sdf
- - rw-r--r-- 2,943 ZM374979_atrop1.sdf.expected2.sdf
- - rw-r--r-- 4,310 ZM374979_atrop2.sdf
- - rw-r--r-- 827 ZM374979_atrop2.sdf.expected.cxsmi
- - rw-r--r-- 2,943 ZM374979_atrop2.sdf.expected.sdf
- - rw-r--r-- 2,943 ZM374979_atrop2.sdf.expected2.sdf
- - rw-r--r-- 4,310 ZM374979_atrop3.sdf
- - rw-r--r-- 826 ZM374979_atrop3.sdf.expected.cxsmi
- - rw-r--r-- 2,943 ZM374979_atrop3.sdf.expected.sdf
- - rw-r--r-- 2,943 ZM374979_atrop3.sdf.expected2.sdf
- - rw-r--r-- 4,310 ZM374979_atropBad1.sdf
- - rw-r--r-- 820 ZM374979_atropBad1.sdf.expected.cxsmi
- - rw-r--r-- 2,949 ZM374979_atropBad1.sdf.expected.sdf
- - rw-r--r-- 2,937 ZM374979_atropBad1.sdf.expected2.sdf
- - rw-r--r-- 2,805 atropWedgeError.mol
- - rw-r--r-- 70 atropWedgeError.mol.expected.cxsmi
- - rw-r--r-- 990 atropWedgeError2.mol
- - rw-r--r-- 42 atropWedgeError2.mol.expected.cxsmi
- - rw-r--r-- 969 atropWedgeTest.sdf
- - rw-r--r-- 304 atropWedgeTest.sdf.expected.cxsmi
- - rw-r--r-- 1,136 atropWedgeTest.sdf.expected.sdf
- - rw-r--r-- 1,136 atropWedgeTest.sdf.expected2.sdf
- - rw-r--r-- 1,477 macrocycle-5-meta-Cl-ortho-hash.sdf
- - rw-r--r-- 390 macrocycle-5-meta-Cl-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,477 macrocycle-5-meta-Cl-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,477 macrocycle-5-meta-Cl-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,477 macrocycle-5-meta-Cl-ortho-wedge.sdf
- - rw-r--r-- 390 macrocycle-5-meta-Cl-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,477 macrocycle-5-meta-Cl-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,477 macrocycle-5-meta-Cl-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,397 macrocycle-5-meta-broken-hash.sdf
- - rw-r--r-- 365 macrocycle-5-meta-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,397 macrocycle-5-meta-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,397 macrocycle-5-meta-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,397 macrocycle-5-meta-broken-wedge.sdf
- - rw-r--r-- 365 macrocycle-5-meta-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,397 macrocycle-5-meta-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,397 macrocycle-5-meta-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,415 macrocycle-5-meta-hash.sdf
- - rw-r--r-- 365 macrocycle-5-meta-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,415 macrocycle-5-meta-hash.sdf.expected.sdf
- - rw-r--r-- 1,415 macrocycle-5-meta-hash.sdf.expected2.sdf
- - rw-r--r-- 1,415 macrocycle-5-meta-wedge.sdf
- - rw-r--r-- 365 macrocycle-5-meta-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,415 macrocycle-5-meta-wedge.sdf.expected.sdf
- - rw-r--r-- 1,415 macrocycle-5-meta-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,399 macrocycle-5-ortho-broken-hash.sdf
- - rw-r--r-- 407 macrocycle-5-ortho-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,399 macrocycle-5-ortho-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,399 macrocycle-5-ortho-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,399 macrocycle-5-ortho-broken-wedge.sdf
- - rw-r--r-- 407 macrocycle-5-ortho-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,399 macrocycle-5-ortho-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,399 macrocycle-5-ortho-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,417 macrocycle-5-ortho-hash.sdf
- - rw-r--r-- 407 macrocycle-5-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,417 macrocycle-5-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,417 macrocycle-5-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,417 macrocycle-5-ortho-wedge.sdf
- - rw-r--r-- 407 macrocycle-5-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,417 macrocycle-5-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,417 macrocycle-5-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,536 macrocycle-6-meta-Cl-ortho-hash.sdf
- - rw-r--r-- 443 macrocycle-6-meta-Cl-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,536 macrocycle-6-meta-Cl-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,536 macrocycle-6-meta-Cl-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,536 macrocycle-6-meta-Cl-ortho-wedge.sdf
- - rw-r--r-- 443 macrocycle-6-meta-Cl-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,536 macrocycle-6-meta-Cl-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,536 macrocycle-6-meta-Cl-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,455 macrocycle-6-meta-broken-hash.sdf
- - rw-r--r-- 386 macrocycle-6-meta-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,455 macrocycle-6-meta-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,455 macrocycle-6-meta-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,455 macrocycle-6-meta-broken-wedge.sdf
- - rw-r--r-- 386 macrocycle-6-meta-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,455 macrocycle-6-meta-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,455 macrocycle-6-meta-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,473 macrocycle-6-meta-hash.sdf
- - rw-r--r-- 386 macrocycle-6-meta-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,473 macrocycle-6-meta-hash.sdf.expected.sdf
- - rw-r--r-- 1,473 macrocycle-6-meta-hash.sdf.expected2.sdf
- - rw-r--r-- 1,473 macrocycle-6-meta-wedge.sdf
- - rw-r--r-- 386 macrocycle-6-meta-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,473 macrocycle-6-meta-wedge.sdf.expected.sdf
- - rw-r--r-- 1,473 macrocycle-6-meta-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,458 macrocycle-6-ortho-broken-hash.sdf
- - rw-r--r-- 384 macrocycle-6-ortho-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,458 macrocycle-6-ortho-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,458 macrocycle-6-ortho-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,458 macrocycle-6-ortho-broken-wedge.sdf
- - rw-r--r-- 384 macrocycle-6-ortho-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,458 macrocycle-6-ortho-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,458 macrocycle-6-ortho-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,476 macrocycle-6-ortho-hash.sdf
- - rw-r--r-- 384 macrocycle-6-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,476 macrocycle-6-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,476 macrocycle-6-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,476 macrocycle-6-ortho-wedge.sdf
- - rw-r--r-- 384 macrocycle-6-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,476 macrocycle-6-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,476 macrocycle-6-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,599 macrocycle-7-meta-Cl-ortho-hash.sdf
- - rw-r--r-- 438 macrocycle-7-meta-Cl-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,599 macrocycle-7-meta-Cl-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,599 macrocycle-7-meta-Cl-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,599 macrocycle-7-meta-Cl-ortho-wedge.sdf
- - rw-r--r-- 438 macrocycle-7-meta-Cl-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,599 macrocycle-7-meta-Cl-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,599 macrocycle-7-meta-Cl-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,521 macrocycle-7-meta-broken-hash.sdf
- - rw-r--r-- 416 macrocycle-7-meta-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,521 macrocycle-7-meta-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,521 macrocycle-7-meta-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,521 macrocycle-7-meta-broken-wedge.sdf
- - rw-r--r-- 416 macrocycle-7-meta-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,521 macrocycle-7-meta-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,521 macrocycle-7-meta-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,539 macrocycle-7-meta-hash.sdf
- - rw-r--r-- 416 macrocycle-7-meta-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,539 macrocycle-7-meta-hash.sdf.expected.sdf
- - rw-r--r-- 1,539 macrocycle-7-meta-hash.sdf.expected2.sdf
- - rw-r--r-- 1,539 macrocycle-7-meta-wedge.sdf
- - rw-r--r-- 416 macrocycle-7-meta-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,539 macrocycle-7-meta-wedge.sdf.expected.sdf
- - rw-r--r-- 1,539 macrocycle-7-meta-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,525 macrocycle-7-ortho-broken-hash.sdf
- - rw-r--r-- 434 macrocycle-7-ortho-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,525 macrocycle-7-ortho-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,525 macrocycle-7-ortho-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,525 macrocycle-7-ortho-broken-wedge.sdf
- - rw-r--r-- 434 macrocycle-7-ortho-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,525 macrocycle-7-ortho-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,525 macrocycle-7-ortho-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,543 macrocycle-7-ortho-hash.sdf
- - rw-r--r-- 434 macrocycle-7-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,543 macrocycle-7-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,543 macrocycle-7-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,543 macrocycle-7-ortho-wedge.sdf
- - rw-r--r-- 434 macrocycle-7-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,543 macrocycle-7-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,543 macrocycle-7-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,659 macrocycle-8-meta-Cl-ortho-hash.sdf
- - rw-r--r-- 499 macrocycle-8-meta-Cl-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,659 macrocycle-8-meta-Cl-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,659 macrocycle-8-meta-Cl-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,659 macrocycle-8-meta-Cl-ortho-wedge.sdf
- - rw-r--r-- 499 macrocycle-8-meta-Cl-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,659 macrocycle-8-meta-Cl-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,659 macrocycle-8-meta-Cl-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,581 macrocycle-8-meta-broken-hash.sdf
- - rw-r--r-- 476 macrocycle-8-meta-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,581 macrocycle-8-meta-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,581 macrocycle-8-meta-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,581 macrocycle-8-meta-broken-wedge.sdf
- - rw-r--r-- 476 macrocycle-8-meta-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,581 macrocycle-8-meta-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,581 macrocycle-8-meta-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,599 macrocycle-8-meta-hash.sdf
- - rw-r--r-- 476 macrocycle-8-meta-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,599 macrocycle-8-meta-hash.sdf.expected.sdf
- - rw-r--r-- 1,599 macrocycle-8-meta-hash.sdf.expected2.sdf
- - rw-r--r-- 1,599 macrocycle-8-meta-wedge.sdf
- - rw-r--r-- 476 macrocycle-8-meta-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,599 macrocycle-8-meta-wedge.sdf.expected.sdf
- - rw-r--r-- 1,599 macrocycle-8-meta-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,582 macrocycle-8-ortho-broken-hash.sdf
- - rw-r--r-- 462 macrocycle-8-ortho-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,582 macrocycle-8-ortho-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,582 macrocycle-8-ortho-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,582 macrocycle-8-ortho-broken-wedge.sdf
- - rw-r--r-- 462 macrocycle-8-ortho-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,582 macrocycle-8-ortho-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,582 macrocycle-8-ortho-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,600 macrocycle-8-ortho-hash.sdf
- - rw-r--r-- 462 macrocycle-8-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,600 macrocycle-8-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,600 macrocycle-8-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,600 macrocycle-8-ortho-wedge.sdf
- - rw-r--r-- 462 macrocycle-8-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,600 macrocycle-8-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,600 macrocycle-8-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,718 macrocycle-9-meta-Cl-ortho-hash.sdf
- - rw-r--r-- 506 macrocycle-9-meta-Cl-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,718 macrocycle-9-meta-Cl-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,718 macrocycle-9-meta-Cl-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,718 macrocycle-9-meta-Cl-ortho-wedge.sdf
- - rw-r--r-- 506 macrocycle-9-meta-Cl-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,718 macrocycle-9-meta-Cl-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,718 macrocycle-9-meta-Cl-ortho-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,640 macrocycle-9-meta-broken-hash.sdf
- - rw-r--r-- 483 macrocycle-9-meta-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,640 macrocycle-9-meta-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,640 macrocycle-9-meta-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,640 macrocycle-9-meta-broken-wedge.sdf
- - rw-r--r-- 483 macrocycle-9-meta-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,640 macrocycle-9-meta-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,640 macrocycle-9-meta-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,658 macrocycle-9-meta-hash.sdf
- - rw-r--r-- 483 macrocycle-9-meta-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,658 macrocycle-9-meta-hash.sdf.expected.sdf
- - rw-r--r-- 1,658 macrocycle-9-meta-hash.sdf.expected2.sdf
- - rw-r--r-- 1,658 macrocycle-9-meta-wedge.sdf
- - rw-r--r-- 483 macrocycle-9-meta-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,658 macrocycle-9-meta-wedge.sdf.expected.sdf
- - rw-r--r-- 1,658 macrocycle-9-meta-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,642 macrocycle-9-ortho-broken-hash.sdf
- - rw-r--r-- 478 macrocycle-9-ortho-broken-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,642 macrocycle-9-ortho-broken-hash.sdf.expected.sdf
- - rw-r--r-- 1,642 macrocycle-9-ortho-broken-hash.sdf.expected2.sdf
- - rw-r--r-- 1,642 macrocycle-9-ortho-broken-wedge.sdf
- - rw-r--r-- 478 macrocycle-9-ortho-broken-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,642 macrocycle-9-ortho-broken-wedge.sdf.expected.sdf
- - rw-r--r-- 1,642 macrocycle-9-ortho-broken-wedge.sdf.expected2.sdf
- - rw-r--r-- 1,660 macrocycle-9-ortho-hash.sdf
- - rw-r--r-- 478 macrocycle-9-ortho-hash.sdf.expected.cxsmi
- - rw-r--r-- 1,660 macrocycle-9-ortho-hash.sdf.expected.sdf
- - rw-r--r-- 1,660 macrocycle-9-ortho-hash.sdf.expected2.sdf
- - rw-r--r-- 1,660 macrocycle-9-ortho-wedge.sdf
- - rw-r--r-- 478 macrocycle-9-ortho-wedge.sdf.expected.cxsmi
- - rw-r--r-- 1,660 macrocycle-9-ortho-wedge.sdf.expected.sdf
- - rw-r--r-- 1,660 macrocycle-9-ortho-wedge.sdf.expected2.sdf